data_1ddb_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 1ddb _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 16' ' ' ILE . . . . . 0.7 ' CG1' ' CZ ' ' A' ' 183' ' ' PHE . 8.6 tp . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.561 ' CG2' HG11 ' A' ' 175' ' ' VAL . 0.9 OUTLIER -53.33 -63.52 1.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.416 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -51.7 -35.82 44.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.543 ' O ' ' N ' ' A' ' 23' ' ' GLY . 1.0 OUTLIER -56.51 -33.16 65.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.653 ' CD2' ' CD2' ' A' ' 90' ' ' LEU . 1.5 tm? -65.24 -42.77 93.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.88 ' HB ' ' CG2' ' A' ' 175' ' ' VAL . 0.4 OUTLIER -63.89 -63.62 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.733 ' CD1' ' HA3' ' A' ' 39' ' ' GLY . 0.6 OUTLIER -63.37 -32.0 73.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 111.01 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.543 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -74.29 -40.22 41.6 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 1.081 ' CE2' ' HA ' ' A' ' 91' ' ' ALA . 0.5 OUTLIER -51.89 -55.18 21.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 0.761 . . . . 0.0 111.047 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.879 HD22 ' N ' ' A' ' 35' ' ' LEU . 6.3 tp -60.88 -42.79 98.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.8 tm0? -49.23 -33.28 12.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.51 ' CB ' ' HB2' ' A' ' 88' ' ' ARG . 0.1 OUTLIER -82.88 -57.03 3.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.036 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.44 ' O ' ' O ' ' A' ' 25' ' ' LEU . 11.8 t -145.29 -141.87 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.049 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.472 ' O ' ' O ' ' A' ' 30' ' ' CYS . . . 81.78 -144.09 23.84 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.436 1.085 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.51 ' HB3' ' CB ' ' A' ' 34' ' ' GLU . 34.6 t -56.06 -110.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.426 ' O ' ' HB3' ' A' ' 34' ' ' GLU . 5.1 m -140.96 170.3 15.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.45 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.723 ' HA ' HD21 ' A' ' 35' ' ' LEU . 14.3 ptt180 -49.6 -55.3 14.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.259 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -51.85 -27.66 13.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.165 . . . . 0.0 110.316 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.717 ' HB3' HD22 ' A' ' 25' ' ' LEU . 2.9 tp10 -68.11 -57.48 6.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 110.276 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.879 ' N ' HD22 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -46.57 -32.57 3.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.542 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 5.2 tt0 -68.12 -46.62 70.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.621 ' CG1' ' N ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -65.73 -56.77 13.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.797 ' HB2' ' CD2' ' A' ' 171' ' ' PHE . 5.1 mt -67.45 -49.4 63.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.419 1.074 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.733 ' HA3' ' CD1' ' A' ' 22' ' ' PHE . . . -57.62 -41.52 93.7 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.542 ' CB ' ' O ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.494 0.761 . . . . 0.0 110.275 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 3.7 pt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.479 ' CG2' HD12 ' A' ' 16' ' ' ILE . 0.4 OUTLIER -52.24 -56.25 7.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.441 ' NE2' HD11 ' A' ' 19' ' ' LEU . 30.3 m80 -54.65 -39.22 67.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.556 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.496 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 0.9 OUTLIER -54.3 -44.17 71.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 109.268 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.454 HG21 ' N ' ' A' ' 87' ' ' ALA . 1.3 tp -61.4 -35.22 65.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.595 ' O ' ' HB2' ' A' ' 90' ' ' LEU . . . -57.27 -58.91 6.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.51 ' HB2' ' CB ' ' A' ' 27' ' ' SER . 2.8 ptt180 -64.16 -37.34 87.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.428 ' N ' ' CG ' ' A' ' 88' ' ' ARG . 15.4 t-80 -57.1 -25.36 58.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.58 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.653 ' CD2' ' CD2' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -55.11 -60.05 3.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.321 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 1.081 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . . . -54.76 -52.25 63.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -47.87 -35.07 9.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.313 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.464 HG23 ' CE ' ' A' ' 153' ' ' MET . 9.6 mm -70.66 -34.16 55.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.459 ' N ' ' SD ' ' A' ' 153' ' ' MET . . . -57.44 -52.9 48.97 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -60.05 -52.48 65.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -56.69 -41.23 76.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.477 ' HG3' ' CE ' ' A' ' 153' ' ' MET . 0.0 OUTLIER -52.79 -44.86 66.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 97' ' ' MET . 22.3 t0 -39.06 -29.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.472 ' N ' ' C ' ' A' ' 97' ' ' MET . 20.1 t-160 -51.49 -53.5 36.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.137 . . . . 0.0 109.595 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 97' ' ' MET . 1.9 t-20 -147.77 85.93 1.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.663 ' CG2' ' O ' ' A' ' 101' ' ' ILE . 1.7 tt -118.73 72.69 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.73 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 6.3 mt-30 157.95 55.85 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.253 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.73 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.4 Cg_endo -74.96 7.16 2.97 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.466 1.771 . . . . 0.0 111.024 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.726 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 0.4 OUTLIER 177.58 7.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.397 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.726 ' HB2' ' O ' ' A' ' 104' ' ' THR . 6.0 mt 105.47 32.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.345 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.83 ' HA ' ' CZ ' ' A' ' 138' ' ' PHE . 2.1 t -63.17 -82.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.568 ' N ' ' CG1' ' A' ' 106' ' ' VAL . 0.0 OUTLIER -53.34 -17.83 2.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.325 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.24 -50.49 70.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.338 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.797 HD22 ' CZ ' ' A' ' 138' ' ' PHE . 1.9 pp -62.38 -60.01 4.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.862 ' O ' ' CD2' ' A' ' 113' ' ' PHE . . . -48.57 -37.77 18.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -70.0 -23.1 63.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.775 ' CG ' ' O ' ' A' ' 109' ' ' LEU . 4.1 pt20 -55.26 -52.61 62.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.888 ' CZ ' ' HA ' ' A' ' 127' ' ' LEU . 1.5 p90 -67.94 -39.06 83.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 111.063 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.709 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 8.9 tmm? . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.653 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . 0.499 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 1.2 t30 -68.1 -40.29 82.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . 0.503 ' HB2' ' HB2' ' A' ' 113' ' ' PHE . 2.6 p -49.99 -55.36 14.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 108.323 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.888 ' HA ' ' CZ ' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -51.32 -70.63 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -43.38 -29.62 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.499 ' HB2' ' O ' ' A' ' 125' ' ' ASN . 4.9 tttp -63.36 -28.05 69.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.824 ' HB3' ' CD2' ' A' ' 113' ' ' PHE . . . -72.36 -47.48 49.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.749 ' N ' ' CZ ' ' A' ' 177' ' ' PHE . 0.0 OUTLIER -40.8 -46.95 2.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.436 ' O ' ' HB ' ' A' ' 136' ' ' THR . 0.3 OUTLIER -68.85 -39.41 79.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.581 ' C ' HD23 ' A' ' 109' ' ' LEU . 9.0 mt-10 -67.86 -61.07 2.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.271 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.748 ' CG2' ' CE2' ' A' ' 138' ' ' PHE . 0.2 OUTLIER -43.28 -42.36 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . 0.591 ' O ' ' CD ' ' A' ' 139' ' ' PRO . 4.9 ttpt -72.55 -35.15 67.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.244 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' THR . . . . . 0.505 ' N ' ' O ' ' A' ' 133' ' ' GLU . 0.7 OUTLIER -56.95 -26.49 59.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.396 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . 0.666 ' C ' ' HD3' ' A' ' 139' ' ' PRO . . . -102.42 -50.17 3.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . 0.83 ' CZ ' ' HA ' ' A' ' 106' ' ' VAL . 0.0 OUTLIER -117.78 62.53 4.03 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . 0.81 ' C ' ' HB2' ' A' ' 144' ' ' ASN . 18.4 Cg_endo -74.97 156.31 43.11 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.456 1.766 . . . . 0.0 111.031 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . 0.754 ' N ' ' CB ' ' A' ' 144' ' ' ASN . 21.9 mtt180 155.01 -169.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . 0.702 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 41.5 m-20 -89.44 -103.64 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' MET . . . . . 0.592 ' CB ' ' CE2' ' A' ' 185' ' ' TYR . 17.1 ptt? -61.69 -32.84 73.07 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . 0.499 ' O ' ' HB1' ' A' ' 147' ' ' ALA . 0.0 OUTLIER -68.2 -62.32 1.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.254 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . 0.81 ' HB2' ' C ' ' A' ' 139' ' ' PRO . 4.1 t30 -67.92 -59.29 3.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . 0.702 ' CB ' ' O ' ' A' ' 141' ' ' ASP . 9.8 t70 -39.85 -52.89 2.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.552 ' O ' ' CG2' ' A' ' 150' ' ' ILE . 10.0 ttmt -66.75 -29.5 69.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.602 ' N ' ' O ' ' A' ' 144' ' ' ASN . . . -63.23 -59.61 4.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' MET . . . . . 0.664 ' HG3' ' N ' ' A' ' 149' ' ' LEU . 1.4 ptp -50.65 -44.51 57.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 110.965 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.664 ' N ' ' HG3' ' A' ' 148' ' ' MET . 0.5 OUTLIER -53.12 -43.64 67.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 0.0 109.269 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . 0.582 ' CG1' ' O ' ' A' ' 147' ' ' ALA . 0.6 OUTLIER -53.58 -31.51 19.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' MET . . . . . 1.094 ' O ' ' CD2' ' A' ' 155' ' ' LEU . 5.3 mmm -63.88 -54.68 30.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' THR . . . . . 0.892 ' OG1' ' O ' ' A' ' 173' ' ' THR . 0.6 OUTLIER -42.77 -52.53 4.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 110.387 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' MET . . . . . 0.542 ' N ' HG21 ' A' ' 152' ' ' THR . 10.8 ptt? -69.49 -25.47 64.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.675 ' C ' ' CD2' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -57.59 -51.75 68.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 1.094 ' CD2' ' O ' ' A' ' 151' ' ' MET . 0.0 OUTLIER -52.0 -57.43 9.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . 0.699 ' O ' ' N ' ' A' ' 160' ' ' ALA . . . -55.66 -53.88 51.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.506 ' HB2' ' O ' ' A' ' 153' ' ' MET . 0.0 OUTLIER -43.24 -54.21 4.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . 0.938 ' O ' ' N ' ' A' ' 162' ' ' HIS . 0.0 OUTLIER -78.53 -56.81 4.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.285 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' VAL . . . . . 0.766 ' N ' ' O ' ' A' ' 155' ' ' LEU . 49.1 t -49.6 -57.74 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . 0.699 ' N ' ' O ' ' A' ' 156' ' ' ALA . . . -32.65 -40.2 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 159' ' ' VAL . 0.4 OUTLIER -116.22 -12.19 11.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.976 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . 0.938 ' N ' ' O ' ' A' ' 158' ' ' LYS . 19.2 t60 -93.82 -49.37 5.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.566 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . 0.61 ' H ' ' HA ' ' A' ' 159' ' ' VAL . . . -116.81 81.42 11.91 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -3.47 13.97 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.511 1.795 . . . . 0.0 111.017 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.19 -12.27 23.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.965 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . 0.555 ' O ' ' N ' ' A' ' 170' ' ' VAL . 10.6 mt -111.83 40.55 2.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . 0.753 ' N ' HD11 ' A' ' 167' ' ' LEU . 0.0 OUTLIER -51.33 -60.56 2.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . 0.752 ' H ' HD11 ' A' ' 167' ' ' LEU . 21.6 ptt180 -53.81 -45.72 70.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.278 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . 0.546 ' N ' ' CG ' ' A' ' 168' ' ' ARG . 0.3 OUTLIER -64.33 -37.72 88.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 170' ' ' VAL . . . . . 0.602 HG13 HD12 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -48.51 -55.52 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . 0.825 ' CE1' ' HB2' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -60.5 -48.04 83.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.085 . . . . 0.0 110.987 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 172' ' ' HIS . . . . . 0.58 ' CE1' ' HB3' ' A' ' 124' ' ' ARG . 22.1 t-160 -52.98 -36.21 59.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.629 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 173' ' ' THR . . . . . 0.969 ' CG2' ' HG ' ' A' ' 155' ' ' LEU . 93.3 m -58.62 -47.93 82.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.367 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 174' ' ' THR . . . . . 0.719 ' HA ' ' CG2' ' A' ' 152' ' ' THR . 16.1 p -61.64 -63.51 1.25 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 110.416 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 175' ' ' VAL . . . . . 0.88 ' CG2' ' HB ' ' A' ' 21' ' ' VAL . 2.3 t -70.12 8.43 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 176' ' ' ASN . . . . . 0.712 ' HB2' ' CD1' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -77.34 -59.32 2.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 177' ' ' PHE . . . . . 0.857 ' CE2' ' HB2' ' A' ' 151' ' ' MET . 2.6 m-30 -61.23 -52.88 62.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.97 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 178' ' ' ILE . . . . . 0.56 HD13 ' HA ' ' A' ' 175' ' ' VAL . 0.0 OUTLIER -56.46 -43.17 77.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.312 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 179' ' ' ASN . . . . . 0.632 ' CB ' ' O ' ' A' ' 175' ' ' VAL . 7.4 t-20 -63.86 -43.26 96.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.68 -23.51 53.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.282 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.573 ' N ' ' O ' ' A' ' 177' ' ' PHE . 4.5 t-20 -101.31 -154.35 0.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 182' ' ' LEU . . . . . 0.613 ' O ' ' N ' ' A' ' 184' ' ' SER . 0.0 OUTLIER -94.74 75.29 3.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.254 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 183' ' ' PHE . . . . . 0.7 ' CZ ' ' CG1' ' A' ' 16' ' ' ILE . 0.7 OUTLIER 22.17 -86.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.967 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 184' ' ' SER . . . . . 0.64 ' N ' ' CG ' ' A' ' 183' ' ' PHE . 2.2 t -116.01 113.5 23.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.024 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 185' ' ' TYR . . . . . 0.592 ' CE2' ' CB ' ' A' ' 142' ' ' MET . 68.1 t80 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.988 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.2 tp . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.609 HG21 HG11 ' A' ' 175' ' ' VAL . 1.2 m -51.79 -67.37 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.403 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -49.54 -37.25 26.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 23' ' ' GLY . 1.0 OUTLIER -58.33 -31.33 67.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.616 ' CD2' ' CD2' ' A' ' 90' ' ' LEU . 1.0 OUTLIER -66.61 -45.28 79.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.959 ' HB ' HG23 ' A' ' 175' ' ' VAL . 0.4 OUTLIER -62.76 -61.38 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.842 ' CD2' ' HA3' ' A' ' 39' ' ' GLY . 1.6 t80 -62.67 -31.47 72.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 111.011 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -74.33 -37.08 48.61 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 1.13 ' CE2' ' HA ' ' A' ' 91' ' ' ALA . 0.5 OUTLIER -57.8 -59.75 4.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 0.792 . . . . 0.0 110.955 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.783 HD21 ' CZ ' ' A' ' 171' ' ' PHE . 9.6 tp -54.81 -42.03 71.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.63 -29.89 71.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.264 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.519 ' CB ' ' O ' ' A' ' 88' ' ' ARG . 10.8 t -50.04 -59.8 3.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.019 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.05 -44.92 5.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.016 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.579 ' N ' ' O ' ' A' ' 25' ' ' LEU . . . 91.53 89.53 1.42 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.517 ' SG ' ' O ' ' A' ' 160' ' ' ALA . 0.5 OUTLIER -80.03 -59.93 2.53 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.73 ' CB ' ' HB2' ' A' ' 34' ' ' GLU . 1.0 OUTLIER -141.87 119.57 11.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.581 1.176 . . . . 0.0 110.417 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -44.65 -59.43 2.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.56 ' O ' ' HB ' ' A' ' 37' ' ' VAL . 64.0 tt0 -59.34 -25.78 64.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.251 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.73 ' HB2' ' CB ' ' A' ' 31' ' ' THR . 2.2 mt-10 -67.85 -62.9 1.2 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.774 ' CD2' ' CD1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -47.53 -39.67 16.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.451 ' O ' ' O ' ' A' ' 40' ' ' ARG . 3.0 tm-20 -70.16 -48.27 58.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.593 ' CG1' ' N ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -67.32 -55.33 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 1.005 ' HB3' ' CG ' ' A' ' 171' ' ' PHE . 11.8 mt -66.82 -45.48 78.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.842 ' HA3' ' CD2' ' A' ' 22' ' ' PHE . . . -52.15 -47.1 55.89 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.551 1.157 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.451 ' O ' ' O ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.526 0.78 . . . . 0.0 110.28 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 22.9 mm . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.401 ' O ' HG21 ' A' ' 86' ' ' ILE . 0.6 OUTLIER -52.2 -51.27 32.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.257 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.417 ' O ' ' HB1' ' A' ' 87' ' ' ALA . 41.2 m80 -57.07 -39.66 75.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.598 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.443 ' O ' ' CG ' ' A' ' 88' ' ' ARG . 4.0 t-20 -53.1 -45.36 68.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.466 HG21 ' N ' ' A' ' 87' ' ' ALA . 0.7 OUTLIER -62.51 -39.45 84.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.646 ' O ' ' HB2' ' A' ' 90' ' ' LEU . . . -53.43 -55.33 26.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.519 ' O ' ' CB ' ' A' ' 27' ' ' SER . 13.0 ptm180 -66.69 -37.84 85.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 0.0 110.31 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.574 ' CE1' HD13 ' A' ' 93' ' ' ILE . 18.6 t-160 -53.99 -23.22 12.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.61 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.646 ' HB2' ' O ' ' A' ' 87' ' ' ALA . 0.4 OUTLIER -59.17 -62.08 2.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 1.13 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . . . -53.96 -53.9 46.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.272 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -48.47 -34.08 10.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.331 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.574 HD13 ' CE1' ' A' ' 89' ' ' HIS . 20.6 mt -71.44 -31.29 42.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 91' ' ' ALA . . . -60.24 -52.87 50.09 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -60.95 -52.35 65.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 0.739 . . . . 0.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -61.92 -39.22 91.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.283 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.565 ' SD ' ' CZ ' ' A' ' 107' ' ' ARG . 6.3 mmt -50.9 -43.95 59.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 111.035 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.455 ' HA ' ' CD1' ' A' ' 101' ' ' ILE . 16.5 t70 -38.17 -30.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.466 ' N ' ' C ' ' A' ' 97' ' ' MET . 57.1 t60 -49.52 -42.61 44.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.598 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.446 ' O ' ' NE ' ' A' ' 107' ' ' ARG . 4.8 m-80 -145.49 88.76 1.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.567 ' O ' ' CB ' ' A' ' 102' ' ' GLN . 10.5 mt -116.38 71.95 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.904 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 0.0 OUTLIER 154.67 51.19 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 110.294 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.904 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.4 Cg_endo -75.0 74.77 3.9 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.507 1.793 . . . . 0.0 111.028 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.695 ' O ' ' CB ' ' A' ' 105' ' ' LEU . 3.2 m 92.4 4.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 110.424 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.695 ' CB ' ' O ' ' A' ' 104' ' ' THR . 3.9 tt 105.45 26.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.746 HG23 ' CG ' ' A' ' 138' ' ' PHE . 1.3 t -71.6 -83.02 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.651 ' N ' ' CG1' ' A' ' 106' ' ' VAL . 5.1 mtt-85 -54.03 -17.0 2.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -67.96 -49.43 61.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.322 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.843 ' CD1' ' N ' ' A' ' 110' ' ' ALA . 0.6 OUTLIER -55.3 -55.2 34.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.316 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.973 ' O ' ' CD2' ' A' ' 113' ' ' PHE . . . -48.02 -40.96 24.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.332 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.11 -23.24 67.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.246 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.754 ' CG ' ' O ' ' A' ' 109' ' ' LEU . 5.5 pt20 -56.43 -52.67 63.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 110.332 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.973 ' CD2' ' O ' ' A' ' 110' ' ' ALA . 2.7 p90 -66.28 -38.99 89.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.988 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.716 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 9.2 tpt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.604 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . 0.582 ' O ' ' CB ' ' A' ' 129' ' ' LYS . 7.6 p30 -69.43 -40.59 77.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . 0.552 ' O ' ' CG ' ' A' ' 113' ' ' PHE . 22.4 p -53.41 -52.83 58.1 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 108.333 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.885 ' HA ' ' CE1' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -57.32 -69.59 0.16 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -49.45 -29.52 6.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.582 ' CB ' ' O ' ' A' ' 125' ' ' ASN . 0.6 OUTLIER -63.06 -28.67 70.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.826 ' HB3' ' CD2' ' A' ' 113' ' ' PHE . . . -68.25 -49.53 60.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.697 ' HA ' ' HE1' ' A' ' 177' ' ' PHE . 0.4 OUTLIER -41.13 -45.45 2.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.573 ' O ' ' CG2' ' A' ' 136' ' ' THR . 2.2 m-20 -66.23 -41.29 90.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.769 ' O ' ' OG1' ' A' ' 136' ' ' THR . 2.7 mm-40 -69.22 -60.75 2.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.292 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.817 HG21 ' CD2' ' A' ' 138' ' ' PHE . 0.2 OUTLIER -44.99 -33.66 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . 0.664 ' O ' ' CD ' ' A' ' 139' ' ' PRO . 0.0 OUTLIER -75.86 -45.44 35.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' THR . . . . . 0.769 ' OG1' ' O ' ' A' ' 133' ' ' GLU . 25.4 p -53.83 -24.28 15.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.414 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . 0.71 ' HB1' ' CE1' ' A' ' 138' ' ' PHE . . . -100.74 -52.32 3.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . 0.817 ' CD2' HG21 ' A' ' 134' ' ' VAL . 0.0 OUTLIER -118.25 62.5 4.68 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 111.012 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . 0.772 ' C ' ' HB2' ' A' ' 144' ' ' ASN . 18.5 Cg_endo -75.0 154.48 42.52 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.529 1.805 . . . . 0.0 111.017 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . 0.745 ' N ' ' CB ' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 157.45 -168.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . 0.681 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 68.9 m-20 -88.89 -103.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' MET . . . . . 0.438 ' O ' ' CB ' ' A' ' 146' ' ' LYS . 1.8 mpt? -62.86 -32.02 73.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -67.98 -62.45 1.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . 0.772 ' HB2' ' C ' ' A' ' 139' ' ' PRO . 3.6 t30 -66.85 -57.03 7.81 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . 0.681 ' CB ' ' O ' ' A' ' 141' ' ' ASP . 81.8 m-20 -41.04 -52.23 3.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 142' ' ' MET . 18.8 ttpt -65.86 -31.19 71.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.556 ' N ' ' O ' ' A' ' 144' ' ' ASN . . . -61.55 -57.25 12.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' MET . . . . . 0.507 ' CG ' HG23 ' A' ' 134' ' ' VAL . 73.9 mtm -50.51 -54.52 21.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 0.0 111.006 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.472 ' O ' ' SD ' ' A' ' 153' ' ' MET . 0.5 OUTLIER -54.46 -41.82 69.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -51.65 -32.59 14.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' MET . . . . . 1.131 ' O ' ' HG ' ' A' ' 154' ' ' LEU . 4.3 mmt -62.73 -55.14 29.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' THR . . . . . 0.831 ' OG1' ' O ' ' A' ' 173' ' ' THR . 0.6 OUTLIER -39.68 -46.38 1.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 110.397 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' MET . . . . . 0.623 ' O ' ' HB3' ' A' ' 157' ' ' LYS . 2.5 mpp? -70.27 -26.64 63.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 1.131 ' HG ' ' O ' ' A' ' 151' ' ' MET . 0.4 OUTLIER -64.36 -43.79 93.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 109.311 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.94 ' HG ' ' CG2' ' A' ' 173' ' ' THR . 0.6 OUTLIER -52.82 -60.87 2.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . 0.696 ' O ' ' N ' ' A' ' 160' ' ' ALA . . . -61.48 -53.82 51.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.248 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.667 ' HA ' ' HB2' ' A' ' 161' ' ' SER . 1.1 tptt -48.14 -39.62 21.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . 0.646 ' O ' ' CB ' ' A' ' 162' ' ' HIS . 1.9 mmtt -68.83 -52.78 26.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' VAL . . . . . 0.948 ' O ' ' N ' ' A' ' 163' ' ' ALA . 0.2 OUTLIER -99.21 -70.9 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . 0.696 ' N ' ' O ' ' A' ' 156' ' ' ALA . . . -32.75 -32.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' SER . . . . . 0.667 ' HB2' ' HA ' ' A' ' 157' ' ' LYS . 0.1 OUTLIER -99.21 -13.41 19.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.998 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . 0.936 ' N ' ' O ' ' A' ' 159' ' ' VAL . 8.1 t-80 -124.35 -36.05 2.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.598 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . 0.948 ' N ' ' O ' ' A' ' 159' ' ' VAL . . . -115.79 76.65 6.02 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' PRO . . . . . 0.492 ' HD3' ' C ' ' A' ' 162' ' ' HIS . 18.2 Cg_endo -75.0 43.78 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.488 1.783 . . . . 0.0 110.946 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 165' ' ' SER . . . . . 0.414 ' H ' ' C ' ' A' ' 163' ' ' ALA . 8.2 t -136.74 33.85 2.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 109.988 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . 0.488 ' CB ' ' HB ' ' A' ' 170' ' ' VAL . 6.8 mt -118.6 117.76 29.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . 0.59 ' CD2' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -64.37 -142.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.256 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . 0.637 ' O ' ' CB ' ' A' ' 172' ' ' HIS . 0.7 OUTLIER -56.4 -8.58 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.31 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . 0.462 ' H ' ' C ' ' A' ' 167' ' ' LEU . 53.2 m-20 -59.47 -58.48 8.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 170' ' ' VAL . . . . . 0.513 ' CG1' ' N ' ' A' ' 171' ' ' PHE . 0.4 OUTLIER -65.24 -52.87 47.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . 1.005 ' CG ' ' HB3' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -54.81 -43.35 72.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 172' ' ' HIS . . . . . 0.637 ' CB ' ' O ' ' A' ' 168' ' ' ARG . 8.6 t-80 -60.59 -35.51 76.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.566 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 173' ' ' THR . . . . . 0.94 ' CG2' ' HG ' ' A' ' 155' ' ' LEU . 78.3 m -54.63 -58.5 7.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.419 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 174' ' ' THR . . . . . 0.862 HG21 ' O ' ' A' ' 171' ' ' PHE . 0.5 OUTLIER -55.36 -58.68 6.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.416 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 175' ' ' VAL . . . . . 0.959 HG23 ' HB ' ' A' ' 21' ' ' VAL . 0.9 OUTLIER -71.38 4.53 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 176' ' ' ASN . . . . . 0.865 ' HB3' ' O ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -80.73 -58.15 3.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 177' ' ' PHE . . . . . 0.726 ' CZ ' ' HB2' ' A' ' 151' ' ' MET . 5.4 m-85 -56.96 -51.07 70.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 111.031 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 178' ' ' ILE . . . . . 0.581 ' CD1' ' N ' ' A' ' 179' ' ' ASN . 0.1 OUTLIER -54.83 -46.28 75.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 179' ' ' ASN . . . . . 0.814 ' OD1' ' N ' ' A' ' 180' ' ' GLN . 0.6 OUTLIER -62.24 -35.39 78.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 180' ' ' GLN . . . . . 0.814 ' N ' ' OD1' ' A' ' 179' ' ' ASN . 79.5 mm-40 -56.19 -103.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 110.322 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.407 ' C ' HD11 ' A' ' 182' ' ' LEU . 63.0 t30 -124.81 4.04 8.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 182' ' ' LEU . . . . . 0.47 ' CD1' ' HE1' ' A' ' 148' ' ' MET . 0.3 OUTLIER -96.63 15.08 22.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.263 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 183' ' ' PHE . . . . . 0.706 ' O ' ' CG ' ' A' ' 183' ' ' PHE . 0.2 OUTLIER -35.63 113.58 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 184' ' ' SER . . . . . 0.464 ' C ' ' O ' ' A' ' 183' ' ' PHE . 52.3 m 34.75 75.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.971 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 185' ' ' TYR . . . . . 0.415 ' C ' ' O ' ' A' ' 184' ' ' SER . 2.3 t80 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.575 ' CG2' ' CE2' ' A' ' 183' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.637 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 3.5 m -53.59 -46.61 70.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.364 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.99 -40.06 21.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.3 OUTLIER -67.42 -27.79 67.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.637 ' HB3' ' O ' ' A' ' 17' ' ' THR . 1.4 tm? -63.81 -44.95 91.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.837 ' HB ' ' CG2' ' A' ' 175' ' ' VAL . 0.5 OUTLIER -61.47 -62.23 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.982 ' CD2' HD22 ' A' ' 35' ' ' LEU . 10.6 t80 -61.09 -33.93 74.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -77.29 -35.65 37.08 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.496 1.123 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 1.059 ' CE2' ' HA ' ' A' ' 91' ' ' ALA . 2.2 t80 -51.83 -58.85 5.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 0.79 . . . . 0.0 110.982 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.757 ' HB2' ' CE1' ' A' ' 171' ' ' PHE . 0.3 OUTLIER -58.0 -43.36 86.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -54.17 -31.95 54.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.513 ' OG ' ' HG2' ' A' ' 88' ' ' ARG . 25.8 t -69.04 -97.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 110.034 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.501 ' N ' ' HG ' ' A' ' 27' ' ' SER . 0.8 OUTLIER -140.96 20.06 2.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.572 1.17 . . . . 0.0 109.993 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.61 ' HA3' ' CE1' ' A' ' 24' ' ' PHE . . . -58.0 -108.66 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.435 1.084 . . . . 0.0 110.988 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.446 ' H ' ' CD1' ' A' ' 25' ' ' LEU . 33.0 t -84.36 -96.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.512 ' O ' ' N ' ' A' ' 34' ' ' GLU . 7.4 m -141.88 151.31 42.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.411 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.581 ' O ' HD11 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -42.61 -54.67 3.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 110.343 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.425 ' O ' ' HB ' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -58.67 -26.1 63.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.544 ' CG ' HD22 ' A' ' 25' ' ' LEU . 2.9 tp10 -66.54 -56.88 8.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 110.314 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.982 HD22 ' CD2' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -44.27 -39.33 4.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.366 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.61 ' N ' ' CD1' ' A' ' 35' ' ' LEU . 27.8 tt0 -77.62 -40.16 42.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.633 ' CG1' ' N ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -61.29 -57.73 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 1.06 ' HB2' ' CD2' ' A' ' 171' ' ' PHE . 8.4 mt -72.49 -39.26 67.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.766 ' HA3' ' CD1' ' A' ' 22' ' ' PHE . . . -50.7 -52.21 30.4 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.5 1.125 . . . . 0.0 111.048 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.435 ' HD3' ' CE1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.512 0.772 . . . . 0.0 110.25 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 9.0 mt . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.413 ' O ' HG21 ' A' ' 86' ' ' ILE . 46.8 mm -53.74 -56.95 6.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.562 ' CE1' HD12 ' A' ' 16' ' ' ILE . 95.8 m-70 -54.16 -36.5 63.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.576 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -55.56 -45.92 77.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.435 HG21 ' N ' ' A' ' 87' ' ' ALA . 1.8 tp -62.55 -35.4 69.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.602 ' O ' ' HB2' ' A' ' 90' ' ' LEU . . . -54.8 -47.53 73.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.513 ' HG2' ' OG ' ' A' ' 27' ' ' SER . 2.0 ttm-85 -65.02 -51.99 58.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.118 . . . . 0.0 110.312 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -59.35 -14.3 11.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.607 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.602 ' HB2' ' O ' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -63.35 -68.07 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 1.059 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . . . -52.42 -52.54 53.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -49.57 -32.1 11.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 110.315 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.483 ' O ' ' HB2' ' A' ' 97' ' ' MET . 0.3 OUTLIER -69.03 -35.74 70.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -60.57 -51.65 57.41 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.452 1.095 . . . . 0.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.411 ' HA ' ' HE2' ' A' ' 157' ' ' LYS . 22.0 t70 -56.81 -51.79 67.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 0.768 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' A' ' 99' ' ' HIS . 2.4 mm-40 -63.45 -38.48 91.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.483 ' HB2' ' O ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -50.63 -38.4 45.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.471 ' HB2' ' CE ' ' A' ' 157' ' ' LYS . 28.6 t70 -47.47 -50.73 22.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.428 ' HB2' ' O ' ' A' ' 96' ' ' GLU . 0.8 OUTLIER -43.25 -37.94 2.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.576 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 97' ' ' MET . 0.4 OUTLIER -146.88 87.14 1.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.638 ' CG2' ' O ' ' A' ' 101' ' ' ILE . 0.1 OUTLIER -132.92 97.73 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.155 . . . . 0.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.949 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 6.4 mt-30 158.94 47.48 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.949 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.2 Cg_endo -74.99 71.21 5.08 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.5 1.79 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.657 ' CB ' ' O ' ' A' ' 103' ' ' PRO . 3.5 m 93.93 5.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.44 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.651 ' CB ' ' O ' ' A' ' 104' ' ' THR . 0.3 OUTLIER 101.14 28.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.81 ' CG2' ' CD2' ' A' ' 138' ' ' PHE . 0.9 OUTLIER -62.33 -70.56 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.526 ' N ' ' CG1' ' A' ' 106' ' ' VAL . 0.0 OUTLIER -50.8 -40.6 55.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.498 ' HB3' ' CD2' ' A' ' 105' ' ' LEU . 2.8 tp60 -62.4 -26.07 68.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.694 ' CD1' ' N ' ' A' ' 110' ' ' ALA . 0.9 OUTLIER -64.13 -73.46 0.12 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 1.07 ' O ' ' CD2' ' A' ' 113' ' ' PHE . . . -50.31 -34.15 22.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.06 -26.03 65.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 109' ' ' LEU . 0.5 OUTLIER -53.13 -60.11 3.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.281 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 1.07 ' CD2' ' O ' ' A' ' 110' ' ' ALA . 4.3 p90 -57.36 -42.7 82.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 111.052 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.638 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.577 1.173 . . . . 0.0 111.022 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.574 ' HA ' ' CD1' ' A' ' 127' ' ' LEU . 9.3 ttt-85 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . 0.542 ' O ' ' CB ' ' A' ' 129' ' ' LYS . 15.2 m120 -69.96 -44.93 68.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.349 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . 0.615 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 0.5 OUTLIER -52.83 -56.76 13.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 108.314 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.665 ' HA ' ' CZ ' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -54.9 -70.11 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -47.4 -30.67 3.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.615 ' HB2' ' O ' ' A' ' 126' ' ' CYS . 38.7 mttt -58.81 -31.61 68.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.869 ' HB3' ' CD2' ' A' ' 113' ' ' PHE . . . -73.44 -45.26 55.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.708 ' N ' ' CZ ' ' A' ' 177' ' ' PHE . 0.3 OUTLIER -42.19 -44.85 3.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.937 ' O ' ' HB ' ' A' ' 136' ' ' THR . 1.2 m-20 -68.08 -50.53 54.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.476 ' HB3' ' CD2' ' A' ' 109' ' ' LEU . 0.3 OUTLIER -54.81 -61.18 2.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.773 HG21 ' CE2' ' A' ' 138' ' ' PHE . 0.2 OUTLIER -52.92 -40.43 36.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' A' ' 135' ' ' LYS . 0.1 OUTLIER -85.06 11.06 10.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' THR . . . . . 0.937 ' HB ' ' O ' ' A' ' 132' ' ' ASP . 0.6 OUTLIER -126.14 -16.91 5.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.392 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . 0.537 ' C ' ' HD3' ' A' ' 139' ' ' PRO . . . -101.57 -51.68 3.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . 0.81 ' CD2' ' CG2' ' A' ' 106' ' ' VAL . 0.1 OUTLIER -125.39 59.8 27.1 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 111.038 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . 0.537 ' HD3' ' C ' ' A' ' 137' ' ' ALA . 18.4 Cg_endo -74.92 159.9 41.04 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.485 1.782 . . . . 0.0 111.019 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . 0.835 ' C ' ' ND2' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 172.48 -142.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 110.275 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . 0.643 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 81.9 m-20 -108.72 -103.89 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' MET . . . . . 0.494 ' CB ' ' OH ' ' A' ' 185' ' ' TYR . 6.6 ttm -70.17 -31.9 69.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' A' ' 146' ' ' LYS . 5.9 tt0 -66.76 -60.59 2.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . 0.958 ' ND2' ' H ' ' A' ' 145' ' ' ASP . 0.1 OUTLIER -65.81 -53.6 37.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . 0.958 ' H ' ' ND2' ' A' ' 144' ' ' ASN . 36.0 m-20 -40.83 -55.76 2.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.434 ' HG3' ' N ' ' A' ' 147' ' ' ALA . 5.6 ptpt -62.68 -31.81 72.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.532 ' O ' ' SD ' ' A' ' 151' ' ' MET . . . -61.14 -55.04 36.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' MET . . . . . 0.7 ' HA ' ' HG2' ' A' ' 151' ' ' MET . 1.2 mtp -49.43 -55.37 13.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.448 HD12 ' CD1' ' A' ' 90' ' ' LEU . 7.2 tt -53.95 -44.04 70.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.575 1.172 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . 0.467 ' CG2' HD13 ' A' ' 101' ' ' ILE . 50.8 mt -53.72 -31.95 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' MET . . . . . 0.801 ' HB2' ' CE2' ' A' ' 177' ' ' PHE . 0.1 OUTLIER -56.05 -56.0 26.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' THR . . . . . 0.937 ' HB ' ' HA ' ' A' ' 174' ' ' THR . 27.7 p -56.21 -52.07 65.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 110.396 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' MET . . . . . 0.582 ' N ' ' HG1' ' A' ' 152' ' ' THR . 10.4 mmt -65.98 -21.39 66.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.77 ' C ' ' CD2' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -60.79 -60.44 3.79 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.701 ' H ' HD11 ' A' ' 155' ' ' LEU . 4.9 mp -50.35 -46.22 55.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . 1.143 ' O ' ' O ' ' A' ' 159' ' ' VAL . . . -62.55 -54.09 45.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.477 ' CD ' ' C ' ' A' ' 157' ' ' LYS . 0.1 OUTLIER -46.32 -50.85 15.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . 0.641 ' O ' ' N ' ' A' ' 163' ' ' ALA . 18.5 ptmt -74.62 -52.74 10.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' VAL . . . . . 1.143 ' O ' ' O ' ' A' ' 156' ' ' ALA . 87.7 t -92.97 159.47 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . 0.543 ' HB1' ' CB ' ' A' ' 170' ' ' VAL . . . 64.62 -53.75 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' SER . . . . . 0.591 ' N ' ' O ' ' A' ' 159' ' ' VAL . 0.1 OUTLIER -86.18 -11.08 53.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.021 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . 0.622 ' CB ' ' O ' ' A' ' 158' ' ' LYS . 0.0 OUTLIER -148.55 -36.06 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.597 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . 0.708 ' CB ' ' HA ' ' A' ' 159' ' ' VAL . . . -113.67 94.65 33.66 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 58.77 4.98 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.529 1.805 . . . . 0.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 75.6 p -102.88 -69.25 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.003 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -124.05 63.87 1.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.338 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . 0.847 ' C ' HD23 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -50.64 -28.85 9.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . 0.702 ' N ' HD11 ' A' ' 167' ' ' LEU . 0.1 OUTLIER -62.64 -50.6 70.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . 0.641 ' N ' ' HG3' ' A' ' 168' ' ' ARG . 6.8 t70 -65.98 -33.41 75.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 170' ' ' VAL . . . . . 0.647 HG22 ' CG1' ' A' ' 159' ' ' VAL . 1.0 OUTLIER -56.79 -65.36 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . 1.06 ' CD2' ' HB2' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -48.51 -52.38 22.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 172' ' ' HIS . . . . . 0.651 ' O ' ' OD1' ' A' ' 176' ' ' ASN . 1.9 t60 -65.15 -24.49 67.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 109.587 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 173' ' ' THR . . . . . 1.255 ' C ' ' OD1' ' A' ' 176' ' ' ASN . 1.4 m -76.32 -7.32 54.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.398 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 174' ' ' THR . . . . . 0.999 ' OG1' ' O ' ' A' ' 171' ' ' PHE . 0.6 OUTLIER -94.58 -58.42 2.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 110.417 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 175' ' ' VAL . . . . . 0.837 ' CG2' ' HB ' ' A' ' 21' ' ' VAL . 5.0 t -75.18 26.03 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.339 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 176' ' ' ASN . . . . . 1.255 ' OD1' ' C ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -85.96 -65.64 0.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.295 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 177' ' ' PHE . . . . . 0.801 ' CE2' ' HB2' ' A' ' 151' ' ' MET . 2.3 m-30 -61.27 -53.82 51.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.542 1.151 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 178' ' ' ILE . . . . . 0.572 ' HB ' ' CG2' ' A' ' 17' ' ' THR . 1.5 mt -52.28 -43.39 39.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 179' ' ' ASN . . . . . 0.623 ' N ' HG23 ' A' ' 17' ' ' THR . 6.7 t-20 -66.28 -38.55 88.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 180' ' ' GLN . . . . . 0.578 ' O ' ' O ' ' A' ' 179' ' ' ASN . 1.5 tt0 -41.37 -104.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.27 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.447 ' CB ' ' NE2' ' A' ' 180' ' ' GLN . 58.9 t30 -129.81 3.44 4.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 182' ' ' LEU . . . . . 0.605 ' CD2' ' CE ' ' A' ' 148' ' ' MET . 0.8 OUTLIER -93.49 16.36 13.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.342 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 183' ' ' PHE . . . . . 0.575 ' CE2' ' CG2' ' A' ' 16' ' ' ILE . 49.2 t80 -29.0 95.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 110.997 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 184' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 182' ' ' LEU . 3.9 t 58.14 88.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.994 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 185' ' ' TYR . . . . . 0.497 ' C ' ' CD1' ' A' ' 185' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.551 ' HB ' ' CZ ' ' A' ' 183' ' ' PHE . 15.3 mm . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.523 HG21 ' CG1' ' A' ' 175' ' ' VAL . 1.1 m -55.48 -75.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.356 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.433 ' N ' HG21 ' A' ' 17' ' ' THR . 1.0 OUTLIER -49.78 -34.69 20.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.557 ' O ' ' N ' ' A' ' 23' ' ' GLY . 1.2 tp -58.02 -33.58 69.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.661 ' CD2' ' CD2' ' A' ' 90' ' ' LEU . 1.0 OUTLIER -65.55 -43.39 90.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.816 ' HB ' ' CG2' ' A' ' 175' ' ' VAL . 0.5 OUTLIER -62.99 -62.96 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.727 ' CE1' ' HB3' ' A' ' 35' ' ' LEU . 3.6 t80 -64.65 -30.89 71.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 111.023 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.557 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -72.24 -41.88 51.87 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 1.063 ' CE2' ' HA ' ' A' ' 91' ' ' ALA . 0.3 OUTLIER -53.89 -52.46 60.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 0.724 . . . . 0.0 111.014 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.967 HD23 ' CE1' ' A' ' 171' ' ' PHE . 3.0 tp -56.24 -43.21 78.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.502 ' CB ' HD22 ' A' ' 35' ' ' LEU . 0.4 OUTLIER -55.51 -36.62 66.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.269 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.546 ' OG ' ' O ' ' A' ' 88' ' ' ARG . 0.2 OUTLIER -60.38 -62.3 1.96 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.579 ' O ' ' C ' ' A' ' 29' ' ' GLY . 0.5 OUTLIER -142.5 -71.58 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.967 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.579 ' C ' ' O ' ' A' ' 28' ' ' SER . . . 21.35 -120.47 0.01 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.536 1.148 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.685 ' HB3' ' CB ' ' A' ' 34' ' ' GLU . 44.7 t -99.28 -110.37 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.495 ' H ' ' HB2' ' A' ' 34' ' ' GLU . 15.3 t -141.85 175.98 9.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.416 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.456 ' HA ' HD11 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -47.18 -52.95 14.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 110.277 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.16 -32.05 15.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.265 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.685 ' CB ' ' HB3' ' A' ' 30' ' ' CYS . 0.7 OUTLIER -67.75 -53.3 28.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.789 ' HG ' ' HB3' ' A' ' 25' ' ' LEU . 6.4 mp -44.94 -37.25 3.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -65.76 -49.43 68.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.559 ' CG1' HD21 ' A' ' 167' ' ' LEU . 2.0 t -63.85 -60.52 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.817 ' HB3' ' CG ' ' A' ' 171' ' ' PHE . 9.0 mt -64.98 -45.71 84.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.664 ' HA3' ' O ' ' A' ' 35' ' ' LEU . . . -49.73 -45.19 39.39 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.526 1.141 . . . . 0.0 110.979 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.511 0.771 . . . . 0.0 110.277 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 7.9 pt . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.409 ' O ' HG21 ' A' ' 86' ' ' ILE . 2.4 tt -50.86 -48.5 28.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.512 ' CB ' HD23 ' A' ' 19' ' ' LEU . 13.5 m-70 -62.47 -47.25 84.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.613 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -51.67 -42.35 62.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.409 HG21 ' O ' ' A' ' 83' ' ' ILE . 0.8 OUTLIER -61.51 -39.8 84.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.596 ' O ' ' HB2' ' A' ' 90' ' ' LEU . . . -50.32 -47.65 55.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.546 ' O ' ' OG ' ' A' ' 27' ' ' SER . 1.0 OUTLIER -66.0 -37.07 84.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.519 ' CD2' HG12 ' A' ' 93' ' ' ILE . 13.0 t-80 -54.18 -25.24 21.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.621 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.661 ' CD2' ' CD2' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -55.54 -63.52 1.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 1.063 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . . . -55.76 -56.19 23.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.93 -31.81 7.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.519 HG12 ' CD2' ' A' ' 89' ' ' HIS . 1.0 OUTLIER -70.53 -31.41 46.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.608 ' HA2' ' CE ' ' A' ' 153' ' ' MET . . . -61.73 -52.59 49.71 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.124 . . . . 0.0 110.965 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -58.97 -52.58 65.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 0.751 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.43 -38.74 90.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.482 ' HB3' ' CD1' ' A' ' 101' ' ' ILE . 2.8 mmt -50.54 -41.64 54.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 97' ' ' MET . 39.0 t0 -38.92 -29.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.478 ' N ' ' C ' ' A' ' 97' ' ' MET . 62.7 t60 -39.14 -64.1 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.597 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -144.21 89.66 2.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.733 ' CG2' ' O ' ' A' ' 101' ' ' ILE . 1.5 tt -128.44 84.7 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.842 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 0.8 OUTLIER 151.72 54.12 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.842 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.3 Cg_endo -74.98 10.07 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.508 1.794 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.719 ' O ' ' CB ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER 165.96 4.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.349 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.719 ' CB ' ' O ' ' A' ' 104' ' ' THR . 0.8 OUTLIER 108.77 39.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.766 ' HA ' ' CZ ' ' A' ' 138' ' ' PHE . 1.8 t -69.4 -83.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.614 ' N ' ' CG1' ' A' ' 106' ' ' VAL . 0.8 OUTLIER -52.95 -29.95 31.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.299 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.534 ' HB3' ' HG ' ' A' ' 105' ' ' LEU . 1.9 tt0 -65.55 -32.12 73.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.274 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 1.012 HD11 ' C ' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -64.17 -58.89 5.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 1.17 ' O ' ' CD2' ' A' ' 113' ' ' PHE . . . -47.83 -49.2 29.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.504 ' CA ' HD13 ' A' ' 154' ' ' LEU . . . -62.6 -19.79 64.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.813 ' NE2' HD11 ' A' ' 109' ' ' LEU . 3.2 pt20 -57.76 -48.0 80.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.27 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 1.17 ' CD2' ' O ' ' A' ' 110' ' ' ALA . 3.8 p90 -64.93 -38.61 91.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.74 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 8.4 ttp . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.972 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.588 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 54.1 mtt-85 . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . 0.473 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 60.8 t30 -70.53 -39.71 73.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 17.6 m -50.62 -56.52 11.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 108.316 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.864 ' HA ' ' CZ ' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -50.58 -67.37 0.26 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.128 . . . . 0.0 109.285 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -45.77 -30.65 1.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' A' ' 125' ' ' ASN . 0.5 OUTLIER -63.51 -26.31 68.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.713 ' HB3' ' CD2' ' A' ' 113' ' ' PHE . . . -72.02 -48.68 42.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.694 ' N ' ' CZ ' ' A' ' 177' ' ' PHE . 0.2 OUTLIER -42.53 -44.96 4.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.477 ' O ' ' CG2' ' A' ' 136' ' ' THR . 0.2 OUTLIER -67.39 -40.65 85.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.893 ' O ' ' OG1' ' A' ' 136' ' ' THR . 56.8 mt-10 -68.91 -62.87 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 110.335 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.839 HG21 ' CD2' ' A' ' 138' ' ' PHE . 0.1 OUTLIER -42.45 -33.53 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . 0.573 ' O ' ' CD ' ' A' ' 139' ' ' PRO . 0.0 OUTLIER -75.39 -42.76 53.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' THR . . . . . 0.893 ' OG1' ' O ' ' A' ' 133' ' ' GLU . 22.8 p -52.18 -28.13 17.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.437 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . 0.687 ' HB1' ' CE1' ' A' ' 138' ' ' PHE . . . -102.42 -52.73 3.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . 0.931 ' CZ ' HD22 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -120.58 69.29 16.01 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . 0.757 ' CA ' ' HB2' ' A' ' 144' ' ' ASN . 18.3 Cg_endo -75.01 -172.89 1.38 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.467 1.772 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . 0.729 ' CB ' ' O ' ' A' ' 139' ' ' PRO . 1.3 mtm-85 107.1 -174.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . 0.728 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 0.1 OUTLIER -91.17 -98.77 0.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' MET . . . . . 0.746 ' N ' ' HH ' ' A' ' 185' ' ' TYR . 0.0 OUTLIER -48.15 -33.94 9.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 111.001 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . 0.675 ' O ' ' HB1' ' A' ' 147' ' ' ALA . 0.5 OUTLIER -71.92 -66.72 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.261 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . 0.788 ' HB2' ' O ' ' A' ' 138' ' ' PHE . 0.7 OUTLIER -73.26 -58.55 3.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . 0.728 ' CB ' ' O ' ' A' ' 141' ' ' ASP . 10.4 t0 -34.84 -52.46 0.54 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.64 -36.8 70.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.675 ' HB1' ' O ' ' A' ' 143' ' ' GLU . . . -63.06 -57.29 11.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' MET . . . . . 0.86 ' HG3' ' N ' ' A' ' 149' ' ' LEU . 0.1 OUTLIER -50.75 -47.08 59.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.86 ' N ' ' HG3' ' A' ' 148' ' ' MET . 1.0 OUTLIER -54.26 -39.19 66.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . 0.608 ' CG2' ' CD1' ' A' ' 101' ' ' ILE . 42.1 mt -59.56 -33.56 52.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.336 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' MET . . . . . 0.752 ' HB2' ' CE2' ' A' ' 177' ' ' PHE . 2.3 mmm -55.84 -54.15 48.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' THR . . . . . 0.887 ' CG2' ' CG ' ' A' ' 177' ' ' PHE . 30.9 p -54.13 -52.45 61.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.413 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' MET . . . . . 0.608 ' CE ' ' HA2' ' A' ' 94' ' ' GLY . 6.5 tmm? -60.68 -29.65 69.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 0.0 111.038 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.791 ' C ' ' CD2' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -55.12 -55.7 28.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.348 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.738 HD22 ' CE1' ' A' ' 113' ' ' PHE . 4.8 mp -51.07 -47.03 61.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . 1.1 ' O ' ' O ' ' A' ' 159' ' ' VAL . . . -65.14 -53.73 40.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.66 -51.95 11.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . 0.863 ' O ' ' N ' ' A' ' 163' ' ' ALA . 28.8 mmmt -76.01 -51.31 12.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' VAL . . . . . 1.1 ' O ' ' O ' ' A' ' 156' ' ' ALA . 48.0 t -92.59 154.38 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . 0.561 ' HB2' HG12 ' A' ' 170' ' ' VAL . . . 69.77 -48.91 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' SER . . . . . 0.466 ' H ' ' C ' ' A' ' 159' ' ' VAL . 0.3 OUTLIER -93.85 -8.44 40.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.994 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . 0.57 ' CB ' ' O ' ' A' ' 158' ' ' LYS . 0.2 OUTLIER -153.88 -36.27 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.596 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . 0.863 ' N ' ' O ' ' A' ' 158' ' ' LYS . . . -112.6 97.34 40.32 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 45.58 1.37 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.46 1.769 . . . . 0.0 110.982 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 1.2 m -103.8 -34.05 8.69 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.96 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . 0.527 ' O ' ' HB ' ' A' ' 170' ' ' VAL . 0.1 OUTLIER -133.87 92.42 2.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . 0.811 ' CD2' HD22 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -75.68 -80.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.319 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . 0.624 ' HA ' ' HA ' ' A' ' 38' ' ' LEU . 2.8 ptt180 -53.85 -38.76 65.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 0.0 110.329 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . 0.502 ' N ' ' HG3' ' A' ' 168' ' ' ARG . 0.3 OUTLIER -60.16 -42.02 94.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 170' ' ' VAL . . . . . 0.588 HG23 ' C ' ' A' ' 159' ' ' VAL . 1.1 t -53.32 -56.33 8.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . 0.967 ' CE1' HD23 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -51.22 -53.85 31.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 172' ' ' HIS . . . . . 0.55 ' O ' ' CB ' ' A' ' 176' ' ' ASN . 37.0 t-80 -51.42 -26.43 7.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.625 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 173' ' ' THR . . . . . 0.823 ' O ' ' HB3' ' A' ' 176' ' ' ASN . 1.0 OUTLIER -61.25 -59.08 5.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.414 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 174' ' ' THR . . . . . 0.576 ' HA ' ' CB ' ' A' ' 152' ' ' THR . 31.0 p -54.65 -57.79 10.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.388 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 175' ' ' VAL . . . . . 0.816 ' CG2' ' HB ' ' A' ' 21' ' ' VAL . 2.9 t -75.58 9.7 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 176' ' ' ASN . . . . . 0.823 ' HB3' ' O ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -79.64 -55.64 4.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 177' ' ' PHE . . . . . 0.887 ' CG ' ' CG2' ' A' ' 152' ' ' THR . 4.1 m-30 -64.62 -53.85 41.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 178' ' ' ILE . . . . . 0.547 ' CD1' ' HA ' ' A' ' 175' ' ' VAL . 0.0 OUTLIER -54.22 -47.07 68.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 179' ' ' ASN . . . . . 0.556 ' CB ' ' O ' ' A' ' 175' ' ' VAL . 9.8 t-20 -65.35 -39.75 92.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 38.1 mm-40 -78.61 -6.91 56.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.085 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 177' ' ' PHE . 5.0 t-20 -94.72 -140.08 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 182' ' ' LEU . . . . . 0.475 ' HG ' ' OD1' ' A' ' 181' ' ' ASN . 0.0 OUTLIER -89.59 -39.16 13.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 183' ' ' PHE . . . . . 0.551 ' CZ ' ' HB ' ' A' ' 16' ' ' ILE . 12.5 t80 -178.21 -54.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 2.2 t 167.8 129.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.997 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 185' ' ' TYR . . . . . 0.746 ' HH ' ' N ' ' A' ' 142' ' ' MET . 2.1 t80 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.582 HD12 ' CE1' ' A' ' 84' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.672 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 1.7 m -52.72 -45.54 67.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 110.398 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -49.63 -43.04 46.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.528 ' O ' ' N ' ' A' ' 23' ' ' GLY . 1.9 mm? -66.99 -25.36 66.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.765 HD12 ' CD2' ' A' ' 90' ' ' LEU . 0.1 OUTLIER -64.85 -49.23 71.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.831 ' CG2' ' O ' ' A' ' 171' ' ' PHE . 0.4 OUTLIER -61.58 -60.16 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.169 . . . . 0.0 109.318 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.762 ' CD2' ' HA3' ' A' ' 39' ' ' GLY . 3.2 t80 -61.83 -32.76 73.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 111.014 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -75.05 -36.86 45.0 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.545 1.153 . . . . 0.0 110.961 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 1.071 ' CE2' ' HA ' ' A' ' 91' ' ' ALA . 0.7 OUTLIER -53.41 -57.68 9.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 0.776 . . . . 0.0 111.028 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.85 HD23 ' CE1' ' A' ' 171' ' ' PHE . 1.5 tp -57.41 -44.44 84.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.604 ' HG3' ' N ' ' A' ' 27' ' ' SER . 0.1 OUTLIER -54.76 -31.13 58.22 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.604 ' N ' ' HG3' ' A' ' 26' ' ' GLN . 30.9 t -72.0 -93.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.034 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.07 55.15 1.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.029 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -99.82 -87.1 1.93 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 111.053 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.486 ' CB ' ' HG2' ' A' ' 34' ' ' GLU . 32.6 t -115.66 -102.07 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.423 ' N ' ' SG ' ' A' ' 30' ' ' CYS . 19.2 p -141.1 162.6 35.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.428 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.598 ' O ' HD21 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -49.25 -57.23 7.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -54.88 -26.58 36.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.299 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.61 ' CG ' HD22 ' A' ' 25' ' ' LEU . 3.9 tp10 -68.45 -55.67 11.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.276 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.756 ' N ' HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -48.64 -31.07 6.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.614 ' N ' ' CD2' ' A' ' 35' ' ' LEU . 1.4 tt0 -69.38 -48.33 61.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.61 ' CG1' ' N ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -66.01 -56.67 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 109.323 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.704 ' HB3' ' CG ' ' A' ' 171' ' ' PHE . 18.0 mt -66.16 -42.4 89.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.762 ' HA3' ' CD2' ' A' ' 22' ' ' PHE . . . -48.76 -43.66 29.94 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.75 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.5 pp . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.464 HG13 ' N ' ' A' ' 84' ' ' HIS . 9.8 pt -53.67 -54.79 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.582 ' CE1' HD12 ' A' ' 16' ' ' ILE . 85.1 m-70 -60.03 -30.87 69.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.618 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -55.6 -46.92 77.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.346 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.529 ' C ' ' CD1' ' A' ' 86' ' ' ILE . 0.3 OUTLIER -63.18 -37.39 79.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.342 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.59 ' O ' ' HB2' ' A' ' 90' ' ' LEU . . . -51.98 -48.18 64.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.497 ' CB ' ' HB2' ' A' ' 27' ' ' SER . 0.6 OUTLIER -65.44 -43.08 91.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.581 ' CE1' HD12 ' A' ' 93' ' ' ILE . 85.8 t60 -60.46 -13.42 13.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.618 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.765 ' CD2' HD12 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -63.67 -63.91 1.04 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 1.071 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . . . -57.85 -54.29 48.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.503 ' HG3' ' N ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -47.99 -37.05 13.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.269 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.581 HD12 ' CE1' ' A' ' 89' ' ' HIS . 4.9 mm -70.77 -31.69 46.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.5 ' N ' ' SD ' ' A' ' 153' ' ' MET . . . -57.82 -53.96 41.13 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.465 1.103 . . . . 0.0 111.032 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -64.63 -45.68 85.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 0.0 109.296 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -58.18 -47.4 83.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.483 ' HB2' ' O ' ' A' ' 93' ' ' ILE . 3.1 tpt -57.78 -36.06 71.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.5 ' HA ' ' CD1' ' A' ' 101' ' ' ILE . 28.1 t0 -38.78 -30.45 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.459 ' N ' ' C ' ' A' ' 97' ' ' MET . 55.2 t-80 -36.84 -69.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.596 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -146.06 87.95 1.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.536 ' CG2' ' HB2' ' A' ' 107' ' ' ARG . 6.1 mt -98.03 76.49 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.809 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 2.1 mt-30 161.18 52.63 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.312 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.809 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.2 Cg_endo -75.03 -19.79 17.43 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.534 1.807 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.879 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 40.8 p -152.01 8.0 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.404 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.879 ' HB2' ' O ' ' A' ' 104' ' ' THR . 0.3 OUTLIER 104.76 30.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 1.039 ' O ' ' CD1' ' A' ' 109' ' ' LEU . 1.0 OUTLIER -65.87 -56.3 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.319 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.791 ' O ' ' CB ' ' A' ' 111' ' ' ALA . 0.1 OUTLIER -69.73 -14.86 63.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.337 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.419 ' O ' ' N ' ' A' ' 112' ' ' GLN . 2.5 tm0? -63.22 -65.48 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.279 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 1.039 ' CD1' ' O ' ' A' ' 106' ' ' VAL . 0.0 OUTLIER -56.04 -58.74 6.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.995 ' HA ' ' HB3' ' A' ' 130' ' ' ALA . . . -50.2 -54.2 22.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.791 ' CB ' ' O ' ' A' ' 107' ' ' ARG . . . -63.21 -18.76 63.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.786 ' HG2' ' N ' ' A' ' 113' ' ' PHE . 0.4 OUTLIER -61.3 -49.27 77.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 110.291 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.897 ' CE1' HD11 ' A' ' 127' ' ' LEU . 2.1 p90 -68.43 -36.13 78.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.83 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 111.039 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.612 ' O ' ' CD2' ' A' ' 127' ' ' LEU . 7.0 mmt85 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . 0.626 ' O ' ' N ' ' A' ' 129' ' ' LYS . 4.9 p30 -55.56 -27.43 49.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . 0.459 ' O ' ' CG ' ' A' ' 113' ' ' PHE . 0.8 OUTLIER -46.63 -56.92 5.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 108.324 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.897 HD11 ' CE1' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -54.73 -57.11 12.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.587 ' N ' ' OD1' ' A' ' 176' ' ' ASN . . . -57.37 -27.58 62.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.626 ' N ' ' O ' ' A' ' 125' ' ' ASN . 2.9 ttpt -59.0 -33.13 70.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.995 ' HB3' ' HA ' ' A' ' 110' ' ' ALA . . . -71.53 -39.09 70.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.364 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.622 ' O ' ' CB ' ' A' ' 135' ' ' LYS . 0.2 OUTLIER -47.42 -51.55 19.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.498 ' HA ' ' CE ' ' A' ' 135' ' ' LYS . 2.4 m-20 -72.24 -51.28 21.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.627 ' O ' ' OG1' ' A' ' 136' ' ' THR . 4.8 mm-40 -70.28 -61.4 1.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.912 ' N ' ' O ' ' A' ' 130' ' ' ALA . 0.3 OUTLIER -49.26 -22.05 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.092 . . . . 0.0 109.276 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . 0.694 ' O ' ' CD ' ' A' ' 139' ' ' PRO . 7.7 ttpt -75.55 -46.95 28.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' THR . . . . . 0.627 ' OG1' ' O ' ' A' ' 133' ' ' GLU . 67.2 p -43.42 -24.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.385 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . 0.739 ' C ' ' HD3' ' A' ' 139' ' ' PRO . . . -90.13 -48.05 7.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . 0.729 ' CD1' ' N ' ' A' ' 138' ' ' PHE . 0.0 OUTLIER -118.12 53.48 1.69 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 111.01 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . 0.739 ' HD3' ' C ' ' A' ' 137' ' ' ALA . 18.4 Cg_endo -75.01 121.0 6.3 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.44 1.758 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . 0.594 ' CB ' ' HB2' ' A' ' 144' ' ' ASN . 2.8 tpt180 175.32 -152.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . 0.697 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 2.3 m-20 -105.39 -148.24 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' MET . . . . . 0.592 ' HA ' ' CZ ' ' A' ' 185' ' ' TYR . 4.3 ptt? -45.12 -27.11 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.949 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -74.8 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.252 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . 0.861 HD21 ' N ' ' A' ' 144' ' ' ASN . 0.8 OUTLIER -79.76 -45.06 19.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . 0.697 ' CB ' ' O ' ' A' ' 141' ' ' ASP . 51.0 t0 -36.69 -46.03 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.668 ' CB ' ' OH ' ' A' ' 185' ' ' TYR . 0.6 OUTLIER -50.82 -33.24 22.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.706 ' N ' ' O ' ' A' ' 144' ' ' ASN . . . -57.89 -57.77 11.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' MET . . . . . 0.62 ' HG3' ' N ' ' A' ' 149' ' ' LEU . 0.1 OUTLIER -53.48 -46.66 70.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 111.01 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.62 ' N ' ' HG3' ' A' ' 148' ' ' MET . 8.6 tp -59.8 -42.25 93.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . 0.517 ' O ' ' CG ' ' A' ' 153' ' ' MET . 2.0 mt -50.33 -30.68 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' MET . . . . . 1.124 ' O ' HD23 ' A' ' 155' ' ' LEU . 2.4 mmm -63.85 -48.42 76.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 110.977 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' THR . . . . . 0.953 ' O ' HD21 ' A' ' 155' ' ' LEU . 0.6 OUTLIER -46.65 -50.44 17.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.446 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' MET . . . . . 0.562 ' SD ' ' CG2' ' A' ' 93' ' ' ILE . 11.3 ptp -71.53 -20.9 61.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.974 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.711 ' HB3' ' O ' ' A' ' 151' ' ' MET . 0.0 OUTLIER -59.72 -58.31 9.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 1.124 HD23 ' O ' ' A' ' 151' ' ' MET . 0.0 OUTLIER -52.35 -60.64 2.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . 0.616 ' O ' ' CB ' ' A' ' 160' ' ' ALA . . . -54.1 -44.61 71.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.485 ' CB ' ' O ' ' A' ' 153' ' ' MET . 19.0 tptt -47.83 -59.11 3.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . 0.91 ' O ' ' N ' ' A' ' 162' ' ' HIS . 0.0 OUTLIER -78.63 -56.56 4.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' VAL . . . . . 0.677 ' N ' ' O ' ' A' ' 155' ' ' LEU . 59.4 t -42.35 -51.51 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . 0.616 ' CB ' ' O ' ' A' ' 156' ' ' ALA . . . -31.86 -49.59 0.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.15 -10.07 9.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.016 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . 0.91 ' N ' ' O ' ' A' ' 158' ' ' LYS . 5.7 t60 -87.45 -44.95 10.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.605 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . 0.617 ' H ' ' HA ' ' A' ' 159' ' ' VAL . . . -119.89 68.19 12.13 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' PRO . . . . . 0.584 ' HD3' ' C ' ' A' ' 162' ' ' HIS . 18.2 Cg_endo -74.98 45.59 1.37 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.54 1.811 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 165' ' ' SER . . . . . 0.435 ' HB3' HD22 ' A' ' 166' ' ' LEU . 0.6 OUTLIER -121.27 -46.05 2.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.988 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . 0.497 ' HB3' ' CB ' ' A' ' 169' ' ' ASP . 5.6 mt -105.85 54.23 0.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . 0.744 ' N ' HD11 ' A' ' 167' ' ' LEU . 0.0 OUTLIER -43.62 -55.51 4.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.092 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . 0.664 ' H ' HD11 ' A' ' 167' ' ' LEU . 0.5 OUTLIER -54.57 -41.82 70.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 110.307 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . 0.497 ' CB ' ' HB3' ' A' ' 166' ' ' LEU . 7.1 t70 -63.54 -38.46 91.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 170' ' ' VAL . . . . . 0.563 ' CG2' HG13 ' A' ' 159' ' ' VAL . 0.4 OUTLIER -46.84 -53.96 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . 1.062 ' O ' HG21 ' A' ' 174' ' ' THR . 0.3 OUTLIER -61.76 -42.57 99.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 172' ' ' HIS . . . . . 0.648 ' O ' ' CB ' ' A' ' 176' ' ' ASN . 31.1 t60 -61.04 -31.18 70.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.566 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 173' ' ' THR . . . . . 0.794 HG23 ' CD2' ' A' ' 155' ' ' LEU . 6.7 m -65.01 -49.61 69.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 110.384 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 174' ' ' THR . . . . . 1.062 HG21 ' O ' ' A' ' 171' ' ' PHE . 0.4 OUTLIER -61.35 -62.89 1.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.377 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 175' ' ' VAL . . . . . 0.8 ' CG2' ' N ' ' A' ' 21' ' ' VAL . 2.3 t -71.53 5.73 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 176' ' ' ASN . . . . . 0.732 ' HB3' ' O ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -73.85 -56.75 4.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 177' ' ' PHE . . . . . 0.847 ' CZ ' ' HB2' ' A' ' 151' ' ' MET . 13.8 m-85 -51.19 -55.59 17.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 178' ' ' ILE . . . . . 0.582 ' CD1' HD22 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -59.48 -43.42 90.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 179' ' ' ASN . . . . . 0.471 ' OD1' ' C ' ' A' ' 179' ' ' ASN . 5.1 t-20 -59.55 -37.79 79.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 180' ' ' GLN . . . . . 0.441 ' HB3' ' CD2' ' A' ' 131' ' ' LEU . 1.8 mm-40 -94.83 -0.98 53.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.579 ' HB2' ' O ' ' A' ' 177' ' ' PHE . 7.0 t-20 -95.0 -145.04 0.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 182' ' ' LEU . . . . . 0.575 ' H ' ' CG ' ' A' ' 181' ' ' ASN . 0.0 OUTLIER -94.79 42.69 1.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 183' ' ' PHE . . . . . 0.618 ' O ' ' CB ' ' A' ' 184' ' ' SER . 1.7 t80 22.5 99.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 111.03 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 184' ' ' SER . . . . . 0.618 ' CB ' ' O ' ' A' ' 183' ' ' PHE . 1.4 m 95.28 90.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 109.983 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 185' ' ' TYR . . . . . 0.668 ' OH ' ' CB ' ' A' ' 146' ' ' LYS . 20.4 t80 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.609 HG13 ' CZ ' ' A' ' 183' ' ' PHE . 3.4 tp . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.513 HG21 ' CG1' ' A' ' 175' ' ' VAL . 0.6 OUTLIER -54.64 -65.44 0.58 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.404 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.414 ' N ' ' CG2' ' A' ' 17' ' ' THR . 0.0 OUTLIER -50.16 -35.85 27.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.526 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.7 OUTLIER -58.58 -33.78 70.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.589 ' CD2' ' CD2' ' A' ' 90' ' ' LEU . 0.6 OUTLIER -65.31 -45.05 85.89 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.842 ' HB ' ' CG2' ' A' ' 175' ' ' VAL . 0.5 OUTLIER -63.47 -65.04 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.686 ' CE1' ' O ' ' A' ' 35' ' ' LEU . 0.7 OUTLIER -61.23 -32.56 72.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 111.033 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -76.13 -36.97 38.83 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 1.059 ' CE2' ' HA ' ' A' ' 91' ' ' ALA . 1.3 t80 -53.07 -56.43 16.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 0.752 . . . . 0.0 111.022 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.851 ' HB2' ' CZ ' ' A' ' 171' ' ' PHE . 0.3 OUTLIER -57.84 -45.69 85.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -52.9 -32.66 46.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.283 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.583 ' HB2' ' CA ' ' A' ' 88' ' ' ARG . 44.4 t -67.47 -97.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.984 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -143.37 38.12 1.39 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 110.018 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.558 ' HA3' ' CE1' ' A' ' 24' ' ' PHE . . . -82.0 -111.65 0.41 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.526 ' CB ' ' HG2' ' A' ' 34' ' ' GLU . 0.8 OUTLIER -76.66 -98.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.9 m -147.62 169.2 20.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.383 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.532 ' HA ' HD21 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -51.91 -55.33 20.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.321 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -58.2 -26.69 63.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.301 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.593 ' CG ' HD22 ' A' ' 25' ' ' LEU . 0.5 OUTLIER -68.61 -56.37 8.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.27 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.706 ' HA ' HD21 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -47.66 -38.94 15.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.255 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.533 ' N ' ' HG ' ' A' ' 35' ' ' LEU . 14.9 tt0 -72.38 -52.45 15.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 110.306 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.631 ' CG1' ' N ' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -55.39 -58.07 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.847 ' CB ' ' CD2' ' A' ' 171' ' ' PHE . 27.7 mt -67.28 -43.82 80.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.482 ' HA3' ' O ' ' A' ' 35' ' ' LEU . . . -52.1 -51.46 40.9 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.463 1.102 . . . . 0.0 110.976 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.403 ' O ' ' CG ' ' A' ' 40' ' ' ARG . 3.9 ptm180 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.763 . . . . 0.0 110.293 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 32.6 pt . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.41 HG13 ' CD2' ' A' ' 84' ' ' HIS . 2.1 pt -52.95 -58.55 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.486 ' CE1' ' CD1' ' A' ' 19' ' ' LEU . 39.1 m-70 -59.48 -34.75 72.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.601 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -58.01 -45.24 87.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.45 HG21 ' N ' ' A' ' 87' ' ' ALA . 1.6 tp -62.87 -35.76 72.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.596 ' O ' ' HB2' ' A' ' 90' ' ' LEU . . . -55.09 -51.14 67.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.583 ' CA ' ' HB2' ' A' ' 27' ' ' SER . 7.4 mtp180 -65.9 -51.14 61.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.508 ' O ' ' HB ' ' A' ' 93' ' ' ILE . 45.0 t60 -54.68 -18.18 4.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.632 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.596 ' HB2' ' O ' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -61.84 -61.5 2.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 1.059 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . . . -53.83 -57.41 11.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.509 ' HG3' ' N ' ' A' ' 93' ' ' ILE . 0.6 OUTLIER -47.87 -31.28 4.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.518 ' CG2' HG13 ' A' ' 150' ' ' ILE . 0.2 OUTLIER -72.06 -34.01 49.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 91' ' ' ALA . . . -57.09 -50.66 62.62 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.419 ' N ' ' HE3' ' A' ' 157' ' ' LYS . 25.7 t70 -61.78 -48.68 79.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 0.785 . . . . 0.0 109.339 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.03 -43.16 95.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 0.0 110.348 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.522 ' SD ' ' CD1' ' A' ' 150' ' ' ILE . 7.8 tpt -54.67 -39.39 68.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.572 1.17 . . . . 0.0 111.024 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 99' ' ' HIS . 13.3 t0 -42.06 -25.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.448 ' N ' ' C ' ' A' ' 97' ' ' MET . 20.4 t-160 -38.88 -64.58 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.601 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -146.79 89.4 1.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.626 ' CG2' ' O ' ' A' ' 101' ' ' ILE . 5.0 tt -112.76 73.34 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.688 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 4.0 mt-30 159.59 56.84 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.688 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.2 Cg_endo -75.01 12.11 1.29 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.485 1.782 . . . . 0.0 110.95 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.726 ' O ' ' CB ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER 173.87 -18.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.415 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.726 ' CB ' ' O ' ' A' ' 104' ' ' THR . 4.5 pp 139.96 34.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.843 ' O ' ' CD1' ' A' ' 109' ' ' LEU . 1.4 t -62.58 -81.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.668 ' O ' ' CB ' ' A' ' 111' ' ' ALA . 0.5 OUTLIER -54.75 -12.88 0.86 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.253 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.415 ' N ' ' C ' ' A' ' 106' ' ' VAL . 3.6 tm0? -63.12 -51.85 64.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 1.114 HD13 ' H ' ' A' ' 110' ' ' ALA . 0.4 OUTLIER -61.79 -60.5 3.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 1.114 ' H ' HD13 ' A' ' 109' ' ' LEU . . . -53.33 -35.96 60.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.668 ' CB ' ' O ' ' A' ' 107' ' ' ARG . . . -68.09 -25.29 65.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.72 ' HG2' ' H ' ' A' ' 113' ' ' PHE . 3.8 pt20 -57.37 -50.78 71.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.275 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.878 ' CD2' ' O ' ' A' ' 110' ' ' ALA . 1.3 p90 -68.72 -41.92 78.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.817 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 111.013 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.679 ' HB3' ' CE1' ' A' ' 172' ' ' HIS . 1.4 ptp85 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . 0.501 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 5.6 t30 -68.24 -42.11 80.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . 0.516 ' HB2' ' HB2' ' A' ' 113' ' ' PHE . 1.7 p -51.84 -57.59 8.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 108.289 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.819 ' HA ' ' CE1' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -53.54 -67.54 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -44.91 -29.76 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 125' ' ' ASN . 0.1 OUTLIER -62.46 -28.94 70.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.95 ' HB3' ' HA ' ' A' ' 110' ' ' ALA . . . -73.04 -39.16 66.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.677 ' N ' ' CZ ' ' A' ' 177' ' ' PHE . 0.0 OUTLIER -46.43 -48.69 18.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -73.75 -49.21 26.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.55 ' O ' ' N ' ' A' ' 136' ' ' THR . 7.0 mm-40 -69.17 -58.15 4.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.133 . . . . 0.0 110.329 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.895 ' N ' ' O ' ' A' ' 130' ' ' ALA . 0.3 OUTLIER -45.21 -39.51 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . 0.752 ' O ' ' CD ' ' A' ' 139' ' ' PRO . 32.9 mtmt -73.52 -29.35 62.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' THR . . . . . 0.55 ' N ' ' O ' ' A' ' 133' ' ' GLU . 1.2 t -49.97 -21.47 1.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 110.403 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . 0.687 ' HB1' ' CE1' ' A' ' 138' ' ' PHE . . . -107.98 -50.53 3.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . 0.956 ' C ' ' HB3' ' A' ' 144' ' ' ASN . 0.0 OUTLIER -118.49 61.09 4.45 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 110.971 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . 0.752 ' CD ' ' O ' ' A' ' 135' ' ' LYS . 18.2 Cg_endo -75.01 -80.26 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.458 1.768 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . 0.862 ' CB ' ' HB2' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 33.33 -152.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.167 . . . . 0.0 110.316 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . 0.786 ' O ' ' N ' ' A' ' 145' ' ' ASP . 2.5 m-20 -109.01 -140.01 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' MET . . . . . 0.673 ' HG3' ' CD2' ' A' ' 185' ' ' TYR . 6.8 ttt -40.61 -36.41 0.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -63.21 -66.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . 0.956 ' HB3' ' C ' ' A' ' 138' ' ' PHE . 0.9 OUTLIER -82.91 -47.43 11.81 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . 0.786 ' N ' ' O ' ' A' ' 141' ' ' ASP . 11.8 t70 -40.6 -57.79 1.77 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.509 ' CG ' ' O ' ' A' ' 142' ' ' MET . 12.3 mmmt -52.44 -24.62 8.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.71 ' CB ' ' O ' ' A' ' 144' ' ' ASN . . . -59.65 -55.66 31.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' MET . . . . . 0.752 ' HG3' ' N ' ' A' ' 149' ' ' LEU . 0.4 OUTLIER -53.25 -50.07 65.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.752 ' N ' ' HG3' ' A' ' 148' ' ' MET . 0.2 OUTLIER -54.21 -50.44 67.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . 0.522 ' CD1' ' SD ' ' A' ' 97' ' ' MET . 0.1 OUTLIER -52.22 -26.24 8.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' MET . . . . . 0.935 ' O ' ' CD2' ' A' ' 155' ' ' LEU . 6.4 tpp -62.61 -53.79 49.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' THR . . . . . 1.105 ' OG1' ' O ' ' A' ' 173' ' ' THR . 1.4 t -42.17 -44.95 3.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.387 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' MET . . . . . 0.576 ' N ' HG21 ' A' ' 152' ' ' THR . 3.4 mpp? -72.85 -24.83 60.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.691 ' C ' ' CD2' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -59.71 -50.13 75.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.35 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 1.064 ' H ' ' CD2' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -50.91 -59.95 3.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . 0.562 ' HA ' ' CG2' ' A' ' 170' ' ' VAL . . . -57.21 -50.54 72.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.485 ' CE ' ' HA ' ' A' ' 157' ' ' LYS . 2.8 tppt? -45.72 -54.63 7.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . 0.986 ' O ' ' N ' ' A' ' 162' ' ' HIS . 0.0 OUTLIER -78.03 -59.06 2.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' VAL . . . . . 0.709 ' N ' ' O ' ' A' ' 155' ' ' LEU . 89.0 t -42.4 -55.33 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . 0.551 ' CB ' ' O ' ' A' ' 156' ' ' ALA . . . -32.51 -48.13 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.28 -10.44 11.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.025 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . 0.986 ' N ' ' O ' ' A' ' 158' ' ' LYS . 1.2 t60 -87.36 -51.57 5.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.62 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . 0.647 ' H ' ' HA ' ' A' ' 159' ' ' VAL . . . -97.71 146.27 31.15 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -30.36 7.24 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.478 1.778 . . . . 0.0 110.955 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.73 76.43 2.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.035 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . 0.492 ' CB ' HG22 ' A' ' 170' ' ' VAL . 0.4 OUTLIER -95.34 30.25 2.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . 0.606 ' HA ' ' CD2' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -72.51 -140.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . 0.62 ' O ' ' HB2' ' A' ' 172' ' ' HIS . 0.0 OUTLIER -52.94 -19.95 3.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . 0.439 ' O ' ' OG1' ' A' ' 173' ' ' THR . 1.3 m-20 -63.88 -54.94 26.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 170' ' ' VAL . . . . . 0.562 ' CG2' ' HA ' ' A' ' 156' ' ' ALA . 1.2 t -54.37 -58.73 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . 0.851 ' CZ ' ' HB2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -57.14 -50.15 73.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 110.981 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 172' ' ' HIS . . . . . 0.679 ' CE1' ' HB3' ' A' ' 124' ' ' ARG . 15.3 t-160 -51.62 -42.58 62.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.559 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 173' ' ' THR . . . . . 1.105 ' O ' ' OG1' ' A' ' 152' ' ' THR . 57.4 m -52.39 -47.39 66.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 110.414 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 174' ' ' THR . . . . . 0.734 ' HA ' ' CG2' ' A' ' 152' ' ' THR . 11.5 p -61.17 -64.63 0.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.435 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 175' ' ' VAL . . . . . 0.842 ' CG2' ' HB ' ' A' ' 21' ' ' VAL . 2.6 t -70.42 9.28 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 176' ' ' ASN . . . . . 0.724 ' CB ' HD11 ' A' ' 127' ' ' LEU . 0.0 OUTLIER -76.6 -58.87 3.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 177' ' ' PHE . . . . . 0.677 ' CZ ' ' N ' ' A' ' 131' ' ' LEU . 2.6 m-30 -62.62 -53.46 54.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 178' ' ' ILE . . . . . 0.627 ' CD1' ' N ' ' A' ' 179' ' ' ASN . 0.0 OUTLIER -53.84 -42.24 51.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 179' ' ' ASN . . . . . 0.627 ' N ' ' CD1' ' A' ' 178' ' ' ILE . 16.6 t-20 -70.73 -42.4 70.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.255 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -71.17 -23.98 62.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.336 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.574 ' N ' ' O ' ' A' ' 177' ' ' PHE . 41.0 t30 -109.14 -151.89 0.48 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 182' ' ' LEU . . . . . 0.655 ' O ' ' N ' ' A' ' 184' ' ' SER . 0.0 OUTLIER -95.0 80.58 3.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 183' ' ' PHE . . . . . 0.694 ' CG ' ' N ' ' A' ' 184' ' ' SER . 0.2 OUTLIER 23.43 -84.31 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 110.987 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 184' ' ' SER . . . . . 0.694 ' N ' ' CG ' ' A' ' 183' ' ' PHE . 39.9 t -100.96 147.83 25.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.028 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 185' ' ' TYR . . . . . 0.673 ' CD2' ' HG3' ' A' ' 142' ' ' MET . 8.0 t80 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 111.0 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.502 ' O ' ' HB2' ' A' ' 19' ' ' LEU . 4.4 pt . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.675 HG22 ' CG2' ' A' ' 178' ' ' ILE . 4.8 m -49.65 -52.16 32.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.376 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.58 -40.23 18.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.502 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 3.6 mm? -63.8 -28.37 69.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.663 ' CD2' ' CD2' ' A' ' 90' ' ' LEU . 2.5 tm? -65.02 -43.81 91.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.812 ' HB ' ' CG2' ' A' ' 175' ' ' VAL . 0.5 OUTLIER -60.24 -63.33 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.793 ' CD2' ' HA3' ' A' ' 39' ' ' GLY . 4.3 t80 -62.95 -32.58 73.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.543 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -74.6 -35.83 50.39 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 1.017 ' CE2' ' HA ' ' A' ' 91' ' ' ALA . 5.4 t80 -54.14 -58.67 6.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 0.772 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.834 ' HB2' ' CZ ' ' A' ' 171' ' ' PHE . 0.3 OUTLIER -55.9 -44.4 78.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.594 ' HG3' ' N ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -53.09 -32.71 48.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.594 ' N ' ' HG3' ' A' ' 26' ' ' GLN . 41.0 t -68.52 -96.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.958 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -142.16 20.25 2.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.987 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.616 ' HA3' ' CE1' ' A' ' 24' ' ' PHE . . . -57.9 -104.08 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.512 1.133 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.472 ' H ' ' CD1' ' A' ' 25' ' ' LEU . 40.4 t -91.56 -95.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 34' ' ' GLU . 0.5 OUTLIER -145.31 153.35 41.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.461 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.409 ' O ' HD21 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -43.52 -57.03 3.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.329 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.483 ' O ' ' CG2' ' A' ' 37' ' ' VAL . 7.7 tt0 -54.96 -26.24 35.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.427 1.079 . . . . 0.0 110.28 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.64 ' CG ' HD22 ' A' ' 25' ' ' LEU . 1.5 tp10 -66.79 -55.77 13.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.718 ' HG ' ' CD1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -47.34 -34.75 7.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.608 ' N ' ' CD2' ' A' ' 35' ' ' LEU . 20.8 tt0 -70.26 -44.9 67.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.102 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.491 ' CG1' HD23 ' A' ' 167' ' ' LEU . 3.7 t -63.87 -59.86 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 1.176 ' HB2' ' CD2' ' A' ' 171' ' ' PHE . 0.4 OUTLIER -65.75 -41.47 92.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.248 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.793 ' HA3' ' CD2' ' A' ' 22' ' ' PHE . . . -49.58 -43.99 37.23 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.485 1.116 . . . . 0.0 111.021 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.0 ptt85 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.498 0.764 . . . . 0.0 110.276 -179.976 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.489 ' O ' ' HB2' ' A' ' 85' ' ' ASN . 7.3 mm . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.518 ' O ' HG23 ' A' ' 86' ' ' ILE . 1.5 mp -53.38 -40.76 41.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.342 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.41 ' NE2' ' HG ' ' A' ' 19' ' ' LEU . 47.5 m80 -64.31 -41.87 96.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.633 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.489 ' HB2' ' O ' ' A' ' 82' ' ' ILE . 25.3 m120 -52.35 -45.45 65.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.518 HG23 ' O ' ' A' ' 83' ' ' ILE . 0.6 OUTLIER -61.82 -50.39 80.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.491 ' O ' ' HB2' ' A' ' 90' ' ' LEU . . . -53.36 -37.64 62.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.542 ' O ' ' CB ' ' A' ' 27' ' ' SER . 3.6 ttm180 -64.67 -51.76 60.85 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.479 ' CE1' HD11 ' A' ' 93' ' ' ILE . 86.4 t60 -53.24 -19.55 3.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.582 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.663 ' CD2' ' CD2' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -58.69 -71.67 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.339 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 1.017 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . . . -51.44 -48.08 62.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.253 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -50.03 -41.49 47.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.297 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.537 ' O ' ' CB ' ' A' ' 97' ' ' MET . 2.2 tp -67.84 -25.81 33.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.55 ' CA ' ' HD2' ' A' ' 157' ' ' LYS . . . -62.39 -52.67 47.62 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.491 1.119 . . . . 0.0 110.944 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -58.49 -52.18 66.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 0.729 . . . . 0.0 109.315 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -43.1 96.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.269 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.537 ' CB ' ' O ' ' A' ' 93' ' ' ILE . 36.4 tpp -54.5 -38.97 67.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.976 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.467 ' O ' ' C ' ' A' ' 99' ' ' HIS . 26.2 t70 -40.81 -27.09 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.47 ' N ' ' C ' ' A' ' 97' ' ' MET . 1.4 m-70 -35.24 -66.04 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.633 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 47.0 m-20 -146.2 89.63 1.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.543 ' O ' ' HB2' ' A' ' 102' ' ' GLN . 12.4 tt -105.99 78.17 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.763 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 0.1 OUTLIER 159.99 54.71 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 0.0 110.275 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.763 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.3 Cg_endo -74.98 -20.81 16.54 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.508 1.794 . . . . 0.0 110.976 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.673 ' O ' ' CD2' ' A' ' 105' ' ' LEU . 33.6 p -146.28 7.88 1.04 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 110.449 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.673 ' CD2' ' O ' ' A' ' 104' ' ' THR . 0.2 OUTLIER 102.58 31.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 1.175 ' O ' ' CD1' ' A' ' 109' ' ' LEU . 1.2 t -60.77 -63.7 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.08 . . . . 0.0 109.254 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.849 ' O ' ' CB ' ' A' ' 111' ' ' ALA . 0.1 OUTLIER -67.18 -13.65 62.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.559 ' O ' ' HB1' ' A' ' 111' ' ' ALA . 0.0 OUTLIER -62.15 -61.08 2.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 1.175 ' CD1' ' O ' ' A' ' 106' ' ' VAL . 0.1 OUTLIER -61.04 -61.68 2.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 1.019 ' HA ' ' HB3' ' A' ' 130' ' ' ALA . . . -52.79 -17.81 1.55 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.849 ' CB ' ' O ' ' A' ' 107' ' ' ARG . . . -82.11 -56.17 4.1 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 1.078 ' HG3' ' O ' ' A' ' 109' ' ' LEU . 0.5 OUTLIER -40.27 -54.56 2.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.863 ' CE1' ' HA ' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -62.09 -40.75 96.89 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.676 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 5.5 tpt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 111.018 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.557 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . 0.524 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 4.8 p30 -72.65 -42.3 64.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . 0.698 ' SG ' ' N ' ' A' ' 127' ' ' LEU . 1.7 p -49.38 -53.83 20.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 108.34 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.863 ' HA ' ' CE1' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -52.84 -69.97 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.454 ' O ' ' HB3' ' A' ' 131' ' ' LEU . . . -47.63 -27.93 2.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.524 ' HB2' ' O ' ' A' ' 125' ' ' ASN . 0.0 OUTLIER -55.65 -35.3 65.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 1.019 ' HB3' ' HA ' ' A' ' 110' ' ' ALA . . . -72.49 -40.69 66.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.635 ' O ' ' CB ' ' A' ' 135' ' ' LYS . 0.0 OUTLIER -43.76 -41.63 5.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.476 ' O ' ' HB ' ' A' ' 136' ' ' THR . 0.4 OUTLIER -72.96 -52.3 15.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.519 ' C ' HD21 ' A' ' 109' ' ' LEU . 1.4 mt-10 -73.66 -59.19 2.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.271 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.843 ' N ' ' O ' ' A' ' 130' ' ' ALA . 1.1 t -45.93 -39.27 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . 0.7 ' HG3' ' HA ' ' A' ' 139' ' ' PRO . 0.0 OUTLIER -74.87 -38.13 62.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' THR . . . . . 0.476 ' HB ' ' O ' ' A' ' 132' ' ' ASP . 0.7 OUTLIER -51.56 -19.6 1.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 110.423 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . 0.659 ' HB1' ' CE1' ' A' ' 138' ' ' PHE . . . -103.41 -51.93 3.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . 0.748 ' CD1' ' N ' ' A' ' 138' ' ' PHE . 0.0 OUTLIER -119.1 65.51 7.5 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . 0.7 ' HA ' ' HG3' ' A' ' 135' ' ' LYS . 18.3 Cg_endo -75.01 -91.41 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.542 1.811 . . . . 0.0 110.978 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . 0.726 ' CB ' ' HB2' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 40.49 -168.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 110.284 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . 0.645 ' O ' ' N ' ' A' ' 145' ' ' ASP . 4.7 m-20 -94.5 -143.65 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' MET . . . . . 0.57 ' HA ' ' CE2' ' A' ' 185' ' ' TYR . 0.0 OUTLIER -44.59 -34.28 2.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 111.043 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -55.82 -69.09 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . 0.749 ' O ' ' N ' ' A' ' 147' ' ' ALA . 1.0 OUTLIER -80.15 -41.74 24.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . 0.645 ' N ' ' O ' ' A' ' 141' ' ' ASP . 83.4 m-20 -36.53 -52.0 0.85 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.534 ' HB2' ' CZ ' ' A' ' 185' ' ' TYR . 11.8 ttpt -53.41 -30.65 41.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.248 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.749 ' N ' ' O ' ' A' ' 144' ' ' ASN . . . -55.64 -56.8 16.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' MET . . . . . 0.769 ' HG3' ' N ' ' A' ' 149' ' ' LEU . 0.0 OUTLIER -52.84 -42.18 64.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.769 ' N ' ' HG3' ' A' ' 148' ' ' MET . 89.8 mt -55.84 -48.5 75.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . 0.541 ' O ' ' CG ' ' A' ' 153' ' ' MET . 2.5 mt -51.07 -28.26 6.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.254 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' MET . . . . . 0.924 ' O ' ' CD2' ' A' ' 155' ' ' LEU . 36.1 mmm -66.68 -50.69 62.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' THR . . . . . 1.149 ' OG1' ' O ' ' A' ' 173' ' ' THR . 1.0 OUTLIER -42.17 -50.43 4.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 110.445 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' MET . . . . . 0.614 ' N ' HG21 ' A' ' 152' ' ' THR . 5.4 ptt? -70.58 -26.45 63.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 111.001 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.684 ' C ' ' CD2' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -54.33 -49.98 68.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 1.005 ' H ' ' CD2' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -52.39 -56.65 13.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.334 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . 0.653 ' O ' ' HB2' ' A' ' 161' ' ' SER . . . -56.21 -52.03 65.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.677 ' HA ' ' CB ' ' A' ' 161' ' ' SER . 1.3 mtpm? -47.3 -52.66 15.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . 0.601 ' O ' ' CB ' ' A' ' 162' ' ' HIS . 17.3 ptmt -73.71 -42.07 61.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' VAL . . . . . 1.085 ' O ' ' N ' ' A' ' 163' ' ' ALA . 24.8 t -70.01 -134.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.355 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . 0.669 ' H ' ' CG1' ' A' ' 159' ' ' VAL . . . -25.9 -62.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.251 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' SER . . . . . 0.677 ' CB ' ' HA ' ' A' ' 157' ' ' LYS . 0.4 OUTLIER -48.86 -13.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.01 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . 0.969 ' N ' ' O ' ' A' ' 159' ' ' VAL . 0.6 OUTLIER -148.31 -44.22 0.16 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.428 1.08 . . . . 0.0 109.614 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . 1.085 ' N ' ' O ' ' A' ' 159' ' ' VAL . . . -108.61 94.68 14.51 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' PRO . . . . . 0.515 ' HD3' ' O ' ' A' ' 162' ' ' HIS . 18.3 Cg_endo -75.03 74.28 4.07 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.508 1.794 . . . . 0.0 110.975 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.99 -73.73 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.982 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.08 79.9 1.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . 0.748 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -52.38 -25.81 10.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.348 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . 0.625 ' CG ' ' N ' ' A' ' 169' ' ' ASP . 18.8 ptt180 -60.75 -49.84 75.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . 0.625 ' N ' ' CG ' ' A' ' 168' ' ' ARG . 65.7 t0 -65.64 -31.92 73.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 170' ' ' VAL . . . . . 0.518 HG21 ' HB ' ' A' ' 159' ' ' VAL . 0.9 OUTLIER -51.24 -65.63 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.255 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . 1.176 ' CD2' ' HB2' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -53.74 -51.69 62.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 110.971 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 172' ' ' HIS . . . . . 0.611 ' O ' ' HB3' ' A' ' 176' ' ' ASN . 0.5 OUTLIER -52.06 -42.2 62.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.56 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 173' ' ' THR . . . . . 1.149 ' O ' ' OG1' ' A' ' 152' ' ' THR . 85.7 m -55.9 -39.8 72.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.413 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 174' ' ' THR . . . . . 0.834 ' HA ' ' CG2' ' A' ' 152' ' ' THR . 11.7 p -65.63 -72.85 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.39 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 175' ' ' VAL . . . . . 0.812 ' CG2' ' HB ' ' A' ' 21' ' ' VAL . 40.0 t -66.51 10.69 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 176' ' ' ASN . . . . . 0.715 ' HB2' ' CD1' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -77.54 -61.23 2.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 177' ' ' PHE . . . . . 0.683 ' HZ ' ' CB ' ' A' ' 130' ' ' ALA . 2.5 m-30 -62.16 -53.79 50.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 178' ' ' ILE . . . . . 0.675 ' CG2' HG22 ' A' ' 17' ' ' THR . 2.3 mt -51.64 -46.69 38.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 179' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 175' ' ' VAL . 6.8 t-20 -62.22 -41.29 98.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.238 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -94.75 11.47 31.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.672 ' N ' ' O ' ' A' ' 177' ' ' PHE . 41.9 t30 -95.55 -137.43 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 182' ' ' LEU . . . . . 0.561 ' O ' ' C ' ' A' ' 183' ' ' PHE . 0.1 OUTLIER -91.14 18.48 6.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 183' ' ' PHE . . . . . 0.793 ' O ' ' CG ' ' A' ' 183' ' ' PHE . 13.5 t80 23.52 48.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.96 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 184' ' ' SER . . . . . 0.557 ' CB ' ' O ' ' A' ' 183' ' ' PHE . 0.5 OUTLIER 155.39 43.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.991 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 185' ' ' TYR . . . . . 0.57 ' CE2' ' HA ' ' A' ' 142' ' ' MET . 10.0 t80 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.67 ' CG2' ' CE1' ' A' ' 183' ' ' PHE . 5.4 tp . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.718 ' O ' HG23 ' A' ' 175' ' ' VAL . 0.2 OUTLIER -52.44 -40.37 62.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.404 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.738 ' O ' HG21 ' A' ' 21' ' ' VAL . 1.0 OUTLIER -47.62 -39.01 15.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.537 ' HG ' ' CE1' ' A' ' 84' ' ' HIS . 1.8 mm? -70.18 -27.61 64.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.729 HD12 ' CD2' ' A' ' 90' ' ' LEU . 0.1 OUTLIER -60.66 -54.54 44.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.35 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.816 ' H ' HG23 ' A' ' 175' ' ' VAL . 0.0 OUTLIER -53.53 -60.91 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 109.296 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.712 ' CD2' HD13 ' A' ' 35' ' ' LEU . 2.8 t80 -56.97 -35.89 69.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -71.79 -36.21 61.69 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.855 ' CG ' ' HB1' ' A' ' 91' ' ' ALA . 0.9 OUTLIER -53.86 -57.67 10.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 111.01 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.743 HD22 ' C ' ' A' ' 34' ' ' GLU . 0.3 OUTLIER -57.57 -43.08 84.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -30.67 67.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.334 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.577 ' CB ' ' O ' ' A' ' 88' ' ' ARG . 43.6 t -71.69 -65.24 0.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.029 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.501 ' O ' ' C ' ' A' ' 29' ' ' GLY . 5.5 m -142.68 -89.4 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.029 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.501 ' C ' ' O ' ' A' ' 28' ' ' SER . . . 29.4 -128.52 0.1 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.468 1.105 . . . . 0.0 110.984 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.657 ' HB3' ' CB ' ' A' ' 34' ' ' GLU . 49.0 t -75.05 -109.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.3 t -145.26 172.59 12.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.432 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.554 ' O ' ' CD2' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -48.12 -51.11 26.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.442 ' HG3' ' N ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -54.46 -28.19 42.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 110.322 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.743 ' C ' HD22 ' A' ' 25' ' ' LEU . 3.6 tp10 -68.63 -58.95 3.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.712 HD13 ' CD2' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -44.69 -35.31 2.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.265 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.506 ' N ' HD22 ' A' ' 35' ' ' LEU . 1.9 tt0 -69.67 -39.67 76.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.258 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.619 ' CG1' HD23 ' A' ' 167' ' ' LEU . 20.1 t -64.48 -60.99 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 1.157 ' HB2' ' CD2' ' A' ' 171' ' ' PHE . 0.3 OUTLIER -64.07 -44.57 92.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.621 ' HA3' ' CD1' ' A' ' 22' ' ' PHE . . . -46.21 -52.4 10.41 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.416 ' O ' ' O ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.477 0.751 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.1 pp . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 59.4 mt -53.49 -50.78 47.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.537 ' CE1' ' HG ' ' A' ' 19' ' ' LEU . 70.8 m-70 -62.31 -34.14 76.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.602 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.458 ' HA ' ' CZ ' ' A' ' 88' ' ' ARG . 3.8 t-20 -56.47 -49.93 73.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.43 HG21 ' N ' ' A' ' 87' ' ' ALA . 1.0 OUTLIER -62.77 -32.52 56.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.672 ' O ' ' HB2' ' A' ' 90' ' ' LEU . . . -52.81 -48.2 67.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.577 ' O ' ' CB ' ' A' ' 27' ' ' SER . 0.2 OUTLIER -67.63 -40.86 84.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.09 . . . . 0.0 110.295 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.545 ' O ' ' HB ' ' A' ' 93' ' ' ILE . 15.2 t-160 -57.16 -18.8 16.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.617 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.729 ' CD2' HD12 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -56.35 -70.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.855 ' HB1' ' CG ' ' A' ' 24' ' ' PHE . . . -53.04 -52.18 59.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -53.18 -27.14 19.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.545 ' HB ' ' O ' ' A' ' 89' ' ' HIS . 0.1 OUTLIER -68.06 -36.83 76.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.613 ' CA ' ' HG3' ' A' ' 153' ' ' MET . . . -59.18 -53.5 45.79 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.455 1.097 . . . . 0.0 110.98 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -54.73 -48.08 73.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 0.796 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -37.3 87.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 110.304 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.602 ' CG ' ' N ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER -49.88 -49.97 47.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.602 ' N ' ' CG ' ' A' ' 97' ' ' MET . 22.9 t0 -38.35 -31.26 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 97' ' ' MET . 11.8 t-160 -52.82 -62.83 1.39 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.602 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -148.41 88.49 1.64 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.656 ' CG2' ' O ' ' A' ' 101' ' ' ILE . 0.2 OUTLIER -129.52 98.06 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.362 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.868 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 2.2 pt20 160.05 51.01 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.868 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.2 Cg_endo -75.0 -12.42 21.51 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.509 1.794 . . . . 0.0 110.968 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.677 ' O ' ' CB ' ' A' ' 105' ' ' LEU . 0.5 OUTLIER -161.07 3.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.677 ' CB ' ' O ' ' A' ' 104' ' ' THR . 2.0 mt 103.52 41.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.787 ' HA ' ' CZ ' ' A' ' 138' ' ' PHE . 1.4 m -50.32 -86.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.605 ' O ' ' CB ' ' A' ' 111' ' ' ALA . 0.0 OUTLIER -48.35 -22.33 0.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.283 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.55 ' CB ' ' HB3' ' A' ' 105' ' ' LEU . 3.0 mm-40 -65.78 -52.54 49.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 1.152 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 0.5 OUTLIER -68.03 -63.01 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.236 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.828 ' N ' ' CD1' ' A' ' 109' ' ' LEU . . . -48.26 -23.13 0.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.605 ' CB ' ' O ' ' A' ' 107' ' ' ARG . . . -68.26 -52.6 32.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.577 1.173 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 1.152 ' HG3' ' O ' ' A' ' 109' ' ' LEU . 0.6 OUTLIER -49.46 -39.15 32.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.899 ' CE2' ' CD1' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -61.17 -50.26 73.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 111.036 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.697 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 1.1 ttm . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.558 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . 0.472 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 4.6 m120 -69.36 -40.27 77.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . 0.615 ' C ' ' CD1' ' A' ' 113' ' ' PHE . 14.2 p -51.49 -53.54 36.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 108.272 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.886 ' HA ' ' CE1' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -57.45 -68.62 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -44.41 -28.24 0.53 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.145 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.484 ' HB2' ' O ' ' A' ' 126' ' ' CYS . 7.2 mttt -63.46 -33.74 76.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.69 ' HB3' ' CD2' ' A' ' 113' ' ' PHE . . . -71.35 -41.05 70.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.793 ' N ' ' CZ ' ' A' ' 177' ' ' PHE . 0.2 OUTLIER -48.17 -43.67 31.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.653 ' O ' ' HB ' ' A' ' 136' ' ' THR . 5.6 m-20 -63.84 -50.72 67.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.491 ' C ' HD23 ' A' ' 109' ' ' LEU . 6.9 mm-40 -53.81 -63.86 1.01 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 110.294 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.755 ' HA ' ' CD2' ' A' ' 109' ' ' LEU . 0.2 OUTLIER -53.91 -36.75 31.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . 0.47 ' HB2' ' SD ' ' A' ' 148' ' ' MET . 0.1 OUTLIER -78.86 4.14 14.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' THR . . . . . 0.653 ' HB ' ' O ' ' A' ' 132' ' ' ASP . 0.6 OUTLIER -121.08 -18.36 7.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.366 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . 0.702 ' C ' ' HD3' ' A' ' 139' ' ' PRO . . . -99.57 -51.21 3.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . 0.821 ' CZ ' ' CD2' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -118.78 57.39 3.24 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . 0.702 ' HD3' ' C ' ' A' ' 137' ' ' ALA . 18.3 Cg_endo -74.97 147.27 33.82 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.413 1.744 . . . . 0.0 110.968 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . 0.841 ' N ' ' CB ' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 167.67 -154.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . 0.609 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 11.5 m-20 -96.82 -111.25 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' MET . . . . . 0.585 ' HA ' ' CE2' ' A' ' 185' ' ' TYR . 5.0 ptt? -60.68 -38.45 85.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . 0.58 ' HG2' ' HB3' ' A' ' 140' ' ' ARG . 0.0 OUTLIER -63.2 -57.92 8.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.278 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . 0.841 ' CB ' ' N ' ' A' ' 140' ' ' ARG . 2.4 t30 -69.73 -59.43 2.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . 0.627 ' OD2' ' CE1' ' A' ' 185' ' ' TYR . 77.3 m-20 -40.44 -53.03 2.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 142' ' ' MET . 11.4 ttpt -62.42 -33.83 75.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.561 ' N ' ' O ' ' A' ' 144' ' ' ASN . . . -61.43 -55.1 35.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' MET . . . . . 0.61 ' HE1' ' CD2' ' A' ' 177' ' ' PHE . 1.1 mtp -48.25 -57.86 5.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 111.031 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.441 ' O ' ' OG1' ' A' ' 152' ' ' THR . 9.4 mp -53.45 -43.61 68.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 109.349 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . 0.423 HD12 ' CB ' ' A' ' 97' ' ' MET . 0.4 OUTLIER -52.62 -31.9 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.269 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' MET . . . . . 0.774 ' O ' ' CD2' ' A' ' 155' ' ' LEU . 40.5 mmm -60.82 -54.81 40.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 111.03 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' THR . . . . . 0.779 ' HB ' ' HA ' ' A' ' 174' ' ' THR . 43.1 p -48.23 -40.58 24.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.419 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' MET . . . . . 0.772 ' SD ' ' O ' ' A' ' 153' ' ' MET . 0.0 OUTLIER -67.83 -27.8 67.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.674 HD12 ' N ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -58.82 -50.94 72.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 109.281 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 1.001 ' H ' ' CD2' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -55.05 -55.56 29.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . 0.937 ' O ' ' O ' ' A' ' 159' ' ' VAL . . . -60.49 -51.31 70.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 156' ' ' ALA . 4.8 tmtt? -37.61 -42.93 0.58 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . 0.958 ' O ' ' N ' ' A' ' 163' ' ' ALA . 21.9 mmmt -81.3 -63.89 1.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' VAL . . . . . 0.937 ' O ' ' O ' ' A' ' 156' ' ' ALA . 2.4 p -84.58 155.07 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.247 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . 0.696 ' N ' HG21 ' A' ' 159' ' ' VAL . . . 65.46 34.76 7.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 165.36 -13.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.024 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . 0.629 ' CB ' ' O ' ' A' ' 158' ' ' LYS . 0.2 OUTLIER -152.69 -39.58 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.569 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . 0.958 ' N ' ' O ' ' A' ' 158' ' ' LYS . . . -110.12 98.18 33.73 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' A' ' 162' ' ' HIS . 18.4 Cg_endo -74.99 99.55 1.27 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.512 1.796 . . . . 0.0 110.992 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 1.2 m -141.77 -76.32 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.039 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.57 91.86 2.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . 0.75 ' C ' HD23 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -55.03 -23.18 18.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . 0.674 ' N ' HD11 ' A' ' 167' ' ' LEU . 0.0 OUTLIER -58.84 -67.86 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . 0.473 ' O ' ' OG1' ' A' ' 173' ' ' THR . 21.7 t70 -54.33 -34.61 61.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 170' ' ' VAL . . . . . 0.946 HG11 ' N ' ' A' ' 171' ' ' PHE . 0.4 OUTLIER -49.47 -53.55 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . 1.157 ' CD2' ' HB2' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -60.07 -48.64 80.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.148 . . . . 0.0 111.005 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 172' ' ' HIS . . . . . 0.672 ' O ' ' CB ' ' A' ' 176' ' ' ASN . 0.5 OUTLIER -53.17 -37.32 61.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.568 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 173' ' ' THR . . . . . 0.936 ' CG2' ' HG ' ' A' ' 155' ' ' LEU . 2.9 m -53.6 -51.11 64.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 110.421 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 174' ' ' THR . . . . . 0.779 ' HA ' ' HB ' ' A' ' 152' ' ' THR . 28.3 p -57.25 -68.62 0.21 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 0.0 110.395 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 175' ' ' VAL . . . . . 0.816 HG23 ' H ' ' A' ' 21' ' ' VAL . 55.7 t -74.92 15.03 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 176' ' ' ASN . . . . . 0.719 ' ND2' ' CD1' ' A' ' 177' ' ' PHE . 0.1 OUTLIER -77.13 -56.68 4.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 177' ' ' PHE . . . . . 0.793 ' CZ ' ' N ' ' A' ' 131' ' ' LEU . 5.2 m-30 -63.33 -53.84 46.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.433 1.083 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 178' ' ' ILE . . . . . 0.565 HD12 HD23 ' A' ' 90' ' ' LEU . 3.2 mt -51.06 -50.31 25.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 179' ' ' ASN . . . . . 0.403 ' OD1' ' C ' ' A' ' 179' ' ' ASN . 12.0 t-20 -58.41 -39.65 80.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 180' ' ' GLN . . . . . 0.436 ' HG3' ' NH1' ' A' ' 124' ' ' ARG . 0.0 OUTLIER -93.76 0.25 56.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.295 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.791 ' N ' ' O ' ' A' ' 177' ' ' PHE . 44.5 t30 -98.07 -148.49 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 182' ' ' LEU . . . . . 0.555 ' CD1' ' N ' ' A' ' 182' ' ' LEU . 0.0 OUTLIER -96.24 49.19 1.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.336 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 183' ' ' PHE . . . . . 0.67 ' CE1' ' CG2' ' A' ' 16' ' ' ILE . 0.0 OUTLIER 24.58 97.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.087 . . . . 0.0 110.991 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 184' ' ' SER . . . . . 0.417 ' H ' ' CG2' ' A' ' 178' ' ' ILE . 3.5 m 65.23 90.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.043 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 185' ' ' TYR . . . . . 0.627 ' CE1' ' OD2' ' A' ' 145' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.56 HG22 ' CZ ' ' A' ' 183' ' ' PHE . 5.1 tp . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.647 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 3.3 m -52.75 -39.47 62.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.392 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -50.52 -44.12 56.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 23' ' ' GLY . 4.2 mm? -64.8 -30.62 71.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.734 HD12 ' CD2' ' A' ' 90' ' ' LEU . 0.1 OUTLIER -59.46 -49.13 78.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.867 ' H ' HG23 ' A' ' 175' ' ' VAL . 0.4 OUTLIER -54.94 -58.28 4.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.793 ' CD2' ' HA3' ' A' ' 39' ' ' GLY . 5.1 t80 -61.62 -29.76 70.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.978 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -75.68 -35.43 46.17 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 1.016 ' CE2' ' HA ' ' A' ' 91' ' ' ALA . 7.3 t80 -52.58 -58.71 5.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 0.748 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.833 ' HB2' ' CZ ' ' A' ' 171' ' ' PHE . 0.3 OUTLIER -58.5 -41.05 84.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.256 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.505 ' HB2' ' CD1' ' A' ' 35' ' ' LEU . 1.6 tt0 -54.45 -34.05 60.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.575 ' CB ' ' O ' ' A' ' 88' ' ' ARG . 3.4 t -70.68 -99.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.975 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.425 ' N ' ' OG ' ' A' ' 27' ' ' SER . 10.2 t -136.41 19.37 3.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 110.049 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.591 ' HA3' ' CE1' ' A' ' 24' ' ' PHE . . . -57.33 -99.54 0.01 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.525 1.141 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.488 ' SG ' ' CB ' ' A' ' 160' ' ' ALA . 0.9 OUTLIER -97.94 -96.3 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.515 ' O ' ' N ' ' A' ' 34' ' ' GLU . 9.2 p -146.54 153.03 39.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.371 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.459 ' O ' HD21 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -42.35 -53.63 4.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 110.335 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.449 ' O ' ' CG2' ' A' ' 37' ' ' VAL . 35.5 tt0 -58.72 -27.83 65.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.631 ' CG ' HD22 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -66.28 -56.76 9.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 110.326 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.731 ' HG ' ' CD1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -47.56 -32.31 5.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.601 ' N ' ' CD2' ' A' ' 35' ' ' LEU . 1.1 tp10 -69.95 -46.92 64.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.516 ' O ' ' CG ' ' A' ' 40' ' ' ARG . 2.2 t -64.38 -57.85 9.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 1.072 ' HB2' ' CD2' ' A' ' 171' ' ' PHE . 5.2 mt -67.4 -40.42 85.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.793 ' HA3' ' CD2' ' A' ' 22' ' ' PHE . . . -47.94 -54.05 12.79 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.556 ' HG3' ' O ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.77 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.3 mt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.462 ' CG2' HG12 ' A' ' 16' ' ' ILE . 48.7 mt -52.07 -43.6 37.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.496 ' O ' ' HB1' ' A' ' 87' ' ' ALA . 37.9 m80 -63.0 -33.38 75.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.581 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.411 ' HA ' ' NH2' ' A' ' 88' ' ' ARG . 1.5 t-20 -59.0 -53.18 61.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.427 HG21 ' N ' ' A' ' 87' ' ' ALA . 7.0 tp -62.15 -31.31 51.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.545 ' CB ' ' HA ' ' A' ' 20' ' ' LEU . . . -54.05 -48.56 70.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.575 ' O ' ' CB ' ' A' ' 27' ' ' SER . 2.6 mtm105 -64.6 -49.19 72.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.335 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.601 ' CE1' HG23 ' A' ' 93' ' ' ILE . 16.4 t-80 -51.69 -19.87 1.8 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.583 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.734 ' CD2' HD12 ' A' ' 20' ' ' LEU . 1.4 tp -54.08 -66.73 0.34 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 1.016 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . . . -56.96 -41.9 79.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.2 -43.5 67.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.331 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.601 HG23 ' CE1' ' A' ' 89' ' ' HIS . 1.4 pt -69.04 -27.36 35.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.433 ' N ' HG13 ' A' ' 93' ' ' ILE . . . -60.32 -56.48 24.25 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.514 1.134 . . . . 0.0 111.022 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -67.02 -49.77 64.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 0.781 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.483 ' HG3' ' N ' ' A' ' 97' ' ' MET . 0.4 OUTLIER -57.26 -40.35 77.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 110.283 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.597 ' HB2' ' O ' ' A' ' 93' ' ' ILE . 1.6 mmt -55.11 -50.11 70.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -40.48 -28.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.443 ' N ' ' C ' ' A' ' 97' ' ' MET . 15.1 t60 -55.07 -47.13 75.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.605 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.457 ' N ' ' O ' ' A' ' 97' ' ' MET . 0.7 OUTLIER -145.04 86.6 1.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.608 ' CG2' ' O ' ' A' ' 101' ' ' ILE . 0.1 OUTLIER -141.87 102.71 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.938 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 4.1 tm0? 162.09 47.64 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.938 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.2 Cg_endo -75.01 -15.36 20.76 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.446 1.761 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.75 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 1.5 m -161.92 8.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.39 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.75 ' HB2' ' O ' ' A' ' 104' ' ' THR . 0.2 OUTLIER 99.85 39.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.113 . . . . 0.0 109.288 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.76 ' HA ' ' CZ ' ' A' ' 138' ' ' PHE . 4.6 m -57.25 -75.05 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.643 ' O ' ' CB ' ' A' ' 111' ' ' ALA . 42.1 ptt85 -44.68 -45.9 9.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.665 ' O ' ' HB3' ' A' ' 112' ' ' GLN . 1.4 tt0 -68.09 -30.05 69.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.702 HD11 ' N ' ' A' ' 110' ' ' ALA . 0.9 OUTLIER -65.58 -73.16 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 1.104 ' O ' ' CD2' ' A' ' 113' ' ' PHE . . . -53.91 -48.41 70.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.643 ' CB ' ' O ' ' A' ' 107' ' ' ARG . . . -63.3 -15.97 58.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.672 ' CG ' ' O ' ' A' ' 109' ' ' LEU . 3.0 pt20 -59.06 -49.98 75.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 1.104 ' CD2' ' O ' ' A' ' 110' ' ' ALA . 11.9 p90 -67.42 -46.83 72.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 111.03 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.806 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 1.6 ptt? . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.58 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 3.5 mtp180 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . 0.482 ' O ' ' N ' ' A' ' 129' ' ' LYS . 12.0 p-10 -67.0 -38.61 86.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . 0.546 ' HB3' ' CD1' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -52.96 -56.06 18.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 108.279 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.854 ' HA ' ' CZ ' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -53.84 -63.33 1.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.471 ' CB ' ' CD ' ' A' ' 180' ' ' GLN . . . -50.2 -34.09 21.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 125' ' ' ASN . 0.0 OUTLIER -58.27 -29.51 65.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.861 ' HB3' ' CD2' ' A' ' 113' ' ' PHE . . . -72.75 -41.27 65.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.733 ' CD1' ' CD2' ' A' ' 177' ' ' PHE . 0.1 OUTLIER -42.92 -50.23 5.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.517 ' O ' ' CG2' ' A' ' 136' ' ' THR . 6.4 m-20 -69.83 -42.49 73.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.767 ' O ' ' OG1' ' A' ' 136' ' ' THR . 3.6 mm-40 -57.31 -60.82 3.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.785 ' CG2' ' CE2' ' A' ' 138' ' ' PHE . 0.1 OUTLIER -57.0 -33.42 42.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' A' ' 135' ' ' LYS . 9.8 ttpt -81.16 2.5 27.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' THR . . . . . 0.767 ' OG1' ' O ' ' A' ' 133' ' ' GLU . 2.8 p -117.42 -16.44 10.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 110.431 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . 0.592 ' HB1' ' CE1' ' A' ' 138' ' ' PHE . . . -104.07 -53.14 2.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . 0.785 ' CE2' ' CG2' ' A' ' 134' ' ' VAL . 0.1 OUTLIER -124.87 62.71 36.66 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . 0.712 ' C ' ' HB2' ' A' ' 144' ' ' ASN . 18.2 Cg_endo -75.04 158.66 41.91 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.495 1.787 . . . . 0.0 110.958 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . 0.769 ' N ' ' CB ' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 163.34 -167.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.268 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . 0.625 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 1.7 m-20 -85.09 -105.08 0.05 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' MET . . . . . 0.434 ' O ' ' OH ' ' A' ' 185' ' ' TYR . 4.5 mtp -66.31 -31.88 72.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . 0.45 ' O ' ' HB1' ' A' ' 147' ' ' ALA . 9.4 mt-10 -65.08 -61.92 1.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . 0.769 ' CB ' ' N ' ' A' ' 140' ' ' ARG . 1.8 t30 -67.05 -56.41 10.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . 0.625 ' CB ' ' O ' ' A' ' 141' ' ' ASP . 95.2 m-20 -38.45 -55.17 1.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.439 ' O ' HG12 ' A' ' 150' ' ' ILE . 12.6 ttpt -66.1 -31.91 73.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.161 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.738 ' O ' ' CG1' ' A' ' 150' ' ' ILE . . . -61.66 -46.88 87.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' MET . . . . . 0.893 ' HA ' ' HG2' ' A' ' 151' ' ' MET . 20.0 mtm -58.79 -45.56 89.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.575 ' O ' HG23 ' A' ' 152' ' ' THR . 1.4 mp -58.94 -53.21 60.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . 0.738 ' CG1' ' O ' ' A' ' 147' ' ' ALA . 36.3 pt -51.58 -24.46 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' MET . . . . . 0.893 ' HG2' ' HA ' ' A' ' 148' ' ' MET . 0.1 OUTLIER -55.57 -56.93 14.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 111.018 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' THR . . . . . 1.1 ' OG1' ' C ' ' A' ' 173' ' ' THR . 1.0 OUTLIER -60.91 -47.26 87.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.453 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' MET . . . . . 0.456 ' N ' HG21 ' A' ' 152' ' ' THR . 14.0 mtt -59.2 -28.62 66.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 111.03 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.659 ' C ' ' CD2' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -58.6 -51.54 69.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.833 ' O ' ' N ' ' A' ' 159' ' ' VAL . 5.0 mp -51.4 -60.03 3.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.252 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . 0.62 ' O ' ' HB2' ' A' ' 161' ' ' SER . . . -54.63 -56.69 16.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.753 ' HA ' ' CB ' ' A' ' 161' ' ' SER . 1.3 tmtt? -46.64 -44.7 18.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . 0.607 ' O ' ' CB ' ' A' ' 162' ' ' HIS . 5.8 mptt -81.25 -43.67 18.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' VAL . . . . . 1.066 ' O ' ' N ' ' A' ' 163' ' ' ALA . 15.5 t -72.42 -127.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . 0.635 ' H ' HG13 ' A' ' 159' ' ' VAL . . . -27.3 -61.99 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.256 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' SER . . . . . 0.753 ' CB ' ' HA ' ' A' ' 157' ' ' LYS . 0.3 OUTLIER -51.23 -11.54 0.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.166 . . . . 0.0 109.978 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . 0.966 ' N ' ' O ' ' A' ' 159' ' ' VAL . 0.2 OUTLIER -151.75 -51.64 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.636 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . 1.066 ' N ' ' O ' ' A' ' 159' ' ' VAL . . . -106.31 101.49 35.28 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' PRO . . . . . 0.434 ' HD3' ' O ' ' A' ' 162' ' ' HIS . 18.5 Cg_endo -74.98 46.52 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.472 1.775 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 3.1 m -97.66 -15.43 20.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.043 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . 0.578 ' HB3' ' HB2' ' A' ' 169' ' ' ASP . 2.2 mp -144.01 117.01 8.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . 0.58 ' CD2' HD22 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -95.12 -81.71 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . 0.511 ' HG3' ' N ' ' A' ' 169' ' ' ASP . 21.7 ptt180 -53.89 -40.77 66.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 0.0 110.325 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . 0.578 ' HB2' ' HB3' ' A' ' 166' ' ' LEU . 0.0 OUTLIER -60.2 -44.3 95.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 170' ' ' VAL . . . . . 0.558 ' CG2' ' HB ' ' A' ' 159' ' ' VAL . 1.2 t -52.53 -58.81 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . 1.072 ' CD2' ' HB2' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -51.87 -53.32 41.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.434 1.084 . . . . 0.0 111.007 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 172' ' ' HIS . . . . . 0.654 ' O ' ' CB ' ' A' ' 176' ' ' ASN . 0.5 OUTLIER -51.06 -36.71 41.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.552 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 173' ' ' THR . . . . . 1.1 ' C ' ' OG1' ' A' ' 152' ' ' THR . 2.8 m -51.12 -57.69 8.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.413 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 174' ' ' THR . . . . . 0.763 ' N ' ' OG1' ' A' ' 152' ' ' THR . 24.9 p -53.15 -65.95 0.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.398 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 175' ' ' VAL . . . . . 0.867 HG23 ' H ' ' A' ' 21' ' ' VAL . 20.8 t -68.51 1.89 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 176' ' ' ASN . . . . . 0.772 ' HB3' ' O ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -80.35 -59.4 2.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 177' ' ' PHE . . . . . 0.738 ' CD2' ' O ' ' A' ' 148' ' ' MET . 0.5 OUTLIER -57.51 -45.5 84.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 178' ' ' ILE . . . . . 0.617 HD12 HD23 ' A' ' 90' ' ' LEU . 7.7 mt -53.76 -56.8 7.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 179' ' ' ASN . . . . . 0.551 ' OD1' ' C ' ' A' ' 179' ' ' ASN . 0.7 OUTLIER -60.32 -36.48 78.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 180' ' ' GLN . . . . . 0.516 ' N ' ' OD1' ' A' ' 179' ' ' ASN . 4.0 mm-40 -81.27 -13.72 58.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.686 ' N ' ' O ' ' A' ' 177' ' ' PHE . 36.3 t30 -102.4 -151.2 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 182' ' ' LEU . . . . . 0.559 ' O ' ' C ' ' A' ' 183' ' ' PHE . 0.0 OUTLIER -94.29 52.71 1.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 183' ' ' PHE . . . . . 0.611 ' CG ' ' N ' ' A' ' 184' ' ' SER . 0.4 OUTLIER 21.37 -89.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 184' ' ' SER . . . . . 0.611 ' N ' ' CG ' ' A' ' 183' ' ' PHE . 4.4 m -69.6 110.63 4.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.963 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 185' ' ' TYR . . . . . 0.551 ' C ' ' CD1' ' A' ' 185' ' ' TYR . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 111.05 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.536 ' HB ' ' CZ ' ' A' ' 183' ' ' PHE . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.677 ' O ' HG23 ' A' ' 175' ' ' VAL . 8.9 m -55.57 -62.74 1.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.394 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.463 ' O ' HG11 ' A' ' 21' ' ' VAL . 52.9 t0 -46.0 -35.61 4.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.589 HD23 ' CE1' ' A' ' 84' ' ' HIS . 0.2 OUTLIER -63.15 -32.38 73.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.661 ' CD2' ' CD2' ' A' ' 90' ' ' LEU . 0.9 OUTLIER -63.26 -62.6 1.59 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.981 ' HB ' ' CG2' ' A' ' 175' ' ' VAL . 2.9 p -56.89 -56.77 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.67 ' HA ' ' CE2' ' A' ' 171' ' ' PHE . 0.7 OUTLIER -56.9 -40.77 76.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.962 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -74.88 -32.83 56.44 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.469 1.106 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 1.212 ' CE2' ' HA ' ' A' ' 91' ' ' ALA . 0.3 OUTLIER -56.91 -54.3 48.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 0.77 . . . . 0.0 111.007 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.932 ' HB2' ' CZ ' ' A' ' 171' ' ' PHE . 0.6 OUTLIER -55.87 -43.98 77.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.354 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.507 ' CG ' HD23 ' A' ' 35' ' ' LEU . 12.4 tm0? -61.25 -32.66 72.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.277 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.403 ' HB3' ' O ' ' A' ' 24' ' ' PHE . 35.9 t -63.59 -88.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.964 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.0 t -143.64 29.44 1.39 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 110.008 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.462 ' HA3' ' CE1' ' A' ' 24' ' ' PHE . . . -78.67 -137.63 1.29 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.542 1.151 . . . . 0.0 111.012 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.438 ' H ' ' CD1' ' A' ' 25' ' ' LEU . 30.0 t -55.0 -98.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.487 ' O ' ' N ' ' A' ' 34' ' ' GLU . 99.6 m -142.47 152.78 43.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 110.415 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.579 ' O ' ' CD2' ' A' ' 35' ' ' LEU . 2.6 tmm_? -42.18 -59.14 1.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.343 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.498 ' O ' ' HB ' ' A' ' 37' ' ' VAL . 14.6 tt0 -53.32 -26.33 18.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.266 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.592 ' CG ' HD22 ' A' ' 25' ' ' LEU . 3.2 tp10 -67.69 -52.73 34.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.659 ' O ' ' CE1' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -44.71 -43.6 8.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.632 ' N ' ' HG ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -78.92 -31.69 45.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.649 ' CG1' ' N ' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -61.47 -59.45 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.718 ' HB3' ' CD2' ' A' ' 171' ' ' PHE . 0.1 OUTLIER -81.97 -39.36 23.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.639 ' HA3' ' O ' ' A' ' 35' ' ' LEU . . . -49.24 -52.54 22.62 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.638 ' O ' ' CG ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.534 0.784 . . . . 0.0 110.346 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.3 pt . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.402 ' O ' HG21 ' A' ' 86' ' ' ILE . 14.5 mm -52.14 -41.86 34.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.589 ' CE1' HD23 ' A' ' 19' ' ' LEU . 92.8 m-70 -61.35 -43.33 99.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.605 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.467 ' O ' ' CG ' ' A' ' 88' ' ' ARG . 16.7 t-20 -58.9 -49.74 76.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.419 HG21 ' N ' ' A' ' 87' ' ' ALA . 1.0 OUTLIER -63.37 -29.09 46.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.608 ' O ' ' HB2' ' A' ' 90' ' ' LEU . . . -57.52 -56.43 21.96 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.525 1.141 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.467 ' CG ' ' O ' ' A' ' 85' ' ' ASN . 2.8 ptp180 -63.53 -36.32 83.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.587 ' CD2' HG13 ' A' ' 93' ' ' ILE . 19.4 t-160 -61.18 -22.21 64.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.575 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.661 ' CD2' ' CD2' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -58.22 -60.65 3.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 1.212 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . . . -54.37 -55.47 28.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.581 1.175 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -52.08 -31.37 30.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.587 HG13 ' CD2' ' A' ' 89' ' ' HIS . 5.1 mt -69.12 -36.98 75.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -59.47 -51.55 58.43 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -54.12 -53.32 54.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 0.737 . . . . 0.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.471 ' HG2' ' HA ' ' A' ' 93' ' ' ILE . 12.6 pt-20 -64.97 -35.09 80.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.481 ' HB2' ' O ' ' A' ' 93' ' ' ILE . 6.7 ttm -46.77 -50.64 17.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.958 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.5 ' N ' HD13 ' A' ' 101' ' ' ILE . 0.5 OUTLIER -40.79 -28.59 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.459 ' N ' ' C ' ' A' ' 97' ' ' MET . 12.9 t-160 -53.05 -43.57 66.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.587 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.472 ' N ' ' O ' ' A' ' 97' ' ' MET . 15.3 m-80 -144.3 87.48 1.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.654 ' CG2' ' O ' ' A' ' 101' ' ' ILE . 1.0 OUTLIER -125.13 82.65 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.915 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 0.0 OUTLIER 153.67 52.02 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.915 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.1 Cg_endo -75.04 10.24 1.79 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.51 1.795 . . . . 0.0 110.955 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.709 ' O ' ' CB ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER 159.62 3.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.431 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.709 ' CB ' ' O ' ' A' ' 104' ' ' THR . 3.1 tt 106.58 26.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.763 ' HA ' ' CE2' ' A' ' 138' ' ' PHE . 1.0 OUTLIER -62.91 -63.51 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.589 ' CB ' HG21 ' A' ' 101' ' ' ILE . 0.0 OUTLIER -52.63 -41.98 64.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 110.3 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.606 ' O ' ' HB3' ' A' ' 112' ' ' GLN . 0.0 OUTLIER -61.83 -29.98 70.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.77 HD13 ' N ' ' A' ' 134' ' ' VAL . 0.7 OUTLIER -62.03 -73.85 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 1.131 ' O ' ' CD2' ' A' ' 113' ' ' PHE . . . -55.03 -47.83 74.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.595 ' O ' ' CG ' ' A' ' 114' ' ' MET . . . -61.84 -13.79 27.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.747 ' HG2' ' N ' ' A' ' 113' ' ' PHE . 1.2 pt20 -62.12 -47.4 84.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 110.324 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 1.131 ' CD2' ' O ' ' A' ' 110' ' ' ALA . 7.7 p90 -66.41 -42.41 87.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.849 ' HG3' ' O ' ' A' ' 114' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.549 ' HA ' ' CD1' ' A' ' 127' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . 0.442 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 76.5 m-20 -68.38 -43.27 77.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . 0.461 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 7.8 m -53.37 -55.37 25.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 108.279 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.922 ' HA ' ' CZ ' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -52.43 -70.1 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -46.89 -33.52 4.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.461 ' HB2' ' O ' ' A' ' 126' ' ' CYS . 5.3 mttp -62.49 -24.22 67.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.776 ' HB3' ' CD2' ' A' ' 113' ' ' PHE . . . -75.16 -39.53 60.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.761 ' N ' ' CZ ' ' A' ' 177' ' ' PHE . 0.1 OUTLIER -49.08 -47.23 45.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.496 ' O ' ' CG2' ' A' ' 136' ' ' THR . 0.0 OUTLIER -71.07 -41.38 70.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.5 ' HA ' ' OG1' ' A' ' 136' ' ' THR . 0.1 OUTLIER -67.52 -59.6 3.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.1 . . . . 0.0 110.345 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.77 ' N ' HD13 ' A' ' 109' ' ' LEU . 6.4 p -48.8 -35.56 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . 0.635 ' O ' ' CD ' ' A' ' 139' ' ' PRO . 8.8 ttpt -75.43 -62.16 1.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' THR . . . . . 0.5 ' OG1' ' HA ' ' A' ' 133' ' ' GLU . 17.1 p -44.86 -25.21 0.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.417 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . 0.538 ' C ' ' HD3' ' A' ' 139' ' ' PRO . . . -96.54 -43.84 7.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . 0.763 ' CE2' ' HA ' ' A' ' 106' ' ' VAL . 0.1 OUTLIER -124.79 61.8 32.39 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 110.996 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . 0.657 ' C ' ' HB2' ' A' ' 144' ' ' ASN . 18.4 Cg_endo -75.0 147.98 34.67 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.452 1.764 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . 0.741 ' N ' ' CB ' ' A' ' 144' ' ' ASN . 0.1 OUTLIER 165.73 -170.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.284 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . 0.665 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 13.6 m-20 -88.39 -104.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' MET . . . . . 0.524 ' CG ' ' OH ' ' A' ' 185' ' ' TYR . 4.3 ttt -65.74 -32.07 73.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . 0.434 ' O ' ' HB1' ' A' ' 147' ' ' ALA . 21.4 mp0 -67.12 -62.67 1.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.262 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . 0.741 ' CB ' ' N ' ' A' ' 140' ' ' ARG . 1.5 t-20 -65.65 -58.95 4.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . 0.665 ' CB ' ' O ' ' A' ' 141' ' ' ASP . 50.6 t0 -40.35 -52.4 2.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.467 ' CB ' ' O ' ' A' ' 142' ' ' MET . 2.9 ttmt -68.29 -28.8 67.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.16 . . . . 0.0 109.268 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.583 ' N ' ' O ' ' A' ' 144' ' ' ASN . . . -62.58 -57.29 11.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' MET . . . . . 0.743 ' HG3' ' N ' ' A' ' 149' ' ' LEU . 0.4 OUTLIER -54.06 -48.06 70.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 110.983 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.743 ' N ' ' HG3' ' A' ' 148' ' ' MET . 0.2 OUTLIER -55.06 -41.94 72.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.132 . . . . 0.0 109.327 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . 0.42 ' N ' HD11 ' A' ' 150' ' ' ILE . 0.6 OUTLIER -56.32 -30.43 30.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.249 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' MET . . . . . 0.817 ' HB3' ' CB ' ' A' ' 110' ' ' ALA . 2.5 mmm -61.8 -52.71 63.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 110.998 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' THR . . . . . 0.777 ' OG1' ' HA ' ' A' ' 174' ' ' THR . 0.6 OUTLIER -51.53 -53.98 32.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.44 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' MET . . . . . 0.518 ' N ' ' CG2' ' A' ' 152' ' ' THR . 0.3 OUTLIER -67.15 -24.77 65.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.947 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.744 ' C ' ' CD2' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -56.71 -58.49 7.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.705 HD22 ' CE1' ' A' ' 113' ' ' PHE . 5.1 mp -49.22 -47.12 46.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . 1.08 ' O ' ' O ' ' A' ' 159' ' ' VAL . . . -64.48 -53.17 52.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.436 ' O ' ' HB3' ' A' ' 162' ' ' HIS . 0.0 OUTLIER -44.87 -45.68 10.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . 0.878 ' O ' ' N ' ' A' ' 163' ' ' ALA . 28.3 mmmt -80.45 -42.5 22.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' VAL . . . . . 1.08 ' O ' ' O ' ' A' ' 156' ' ' ALA . 61.7 t -108.47 148.7 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . 0.687 ' CB ' ' O ' ' A' ' 159' ' ' VAL . . . 101.24 -53.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' SER . . . . . 0.432 ' OG ' ' O ' ' A' ' 29' ' ' GLY . 0.2 OUTLIER -117.4 -13.01 10.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 109.995 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . 0.564 ' HB3' ' O ' ' A' ' 158' ' ' LYS . 55.5 t60 -121.94 -40.4 2.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.616 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . 0.878 ' N ' ' O ' ' A' ' 158' ' ' LYS . . . -130.12 91.5 39.01 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.346 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 51.68 2.85 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.54 1.811 . . . . 0.0 110.986 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 10.8 m -109.21 -5.18 16.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.028 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . 0.513 ' CD2' ' CB ' ' A' ' 169' ' ' ASP . 3.8 mp -141.99 128.29 19.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.259 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . 0.695 HD22 ' CD2' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -101.88 -94.88 0.29 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.341 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . 0.674 ' N ' HD12 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -51.89 -33.1 35.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.341 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . 0.513 ' CB ' ' CD2' ' A' ' 166' ' ' LEU . 1.4 m-20 -65.59 -45.94 81.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.333 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 170' ' ' VAL . . . . . 0.796 HG23 ' HA ' ' A' ' 156' ' ' ALA . 0.4 OUTLIER -56.16 -57.02 10.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . 0.932 ' CZ ' ' HB2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -64.26 -51.75 62.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 110.977 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 172' ' ' HIS . . . . . 0.47 ' CB ' ' O ' ' A' ' 168' ' ' ARG . 23.7 t-160 -58.53 -25.11 62.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.59 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 173' ' ' THR . . . . . 0.78 ' O ' ' HB3' ' A' ' 176' ' ' ASN . 1.2 m -68.43 -44.68 74.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.423 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 174' ' ' THR . . . . . 0.777 ' HA ' ' OG1' ' A' ' 152' ' ' THR . 0.2 OUTLIER -63.98 -67.7 0.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.448 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 175' ' ' VAL . . . . . 0.981 ' CG2' ' HB ' ' A' ' 21' ' ' VAL . 1.5 t -63.13 7.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 176' ' ' ASN . . . . . 0.78 ' HB3' ' O ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -73.4 -58.36 3.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 177' ' ' PHE . . . . . 0.799 ' CE2' ' HB2' ' A' ' 151' ' ' MET . 3.8 m-30 -60.8 -47.29 87.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 178' ' ' ILE . . . . . 0.572 ' HB ' ' CG2' ' A' ' 17' ' ' THR . 1.9 mt -61.88 -45.69 98.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 179' ' ' ASN . . . . . 0.538 ' CB ' ' O ' ' A' ' 175' ' ' VAL . 4.6 t30 -56.04 -39.24 71.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 180' ' ' GLN . . . . . 0.483 ' HB3' ' O ' ' A' ' 177' ' ' PHE . 9.7 tp60 -50.48 -100.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 0.0 110.337 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.427 ' N ' ' HG3' ' A' ' 180' ' ' GLN . 5.9 t30 -124.16 -2.9 8.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 182' ' ' LEU . . . . . 0.535 ' CD2' ' SD ' ' A' ' 148' ' ' MET . 0.2 OUTLIER -95.85 40.96 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.419 1.074 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 183' ' ' PHE . . . . . 0.536 ' CZ ' ' HB ' ' A' ' 16' ' ' ILE . 5.7 t80 -32.75 -35.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.975 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 184' ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' ' 182' ' ' LEU . 24.8 t -178.36 90.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.019 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 185' ' ' TYR . . . . . 0.602 ' CD1' ' OD2' ' A' ' 145' ' ' ASP . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.585 HD12 ' CE1' ' A' ' 84' ' ' HIS . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.593 ' CG2' ' HB ' ' A' ' 178' ' ' ILE . 6.6 m -55.57 -62.34 1.75 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 110.425 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -46.63 -36.45 6.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.464 ' HG ' ' CE1' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -62.56 -32.98 74.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.636 ' CD2' ' CD2' ' A' ' 90' ' ' LEU . 1.1 tm? -65.3 -41.37 94.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.854 ' HB ' ' CG2' ' A' ' 175' ' ' VAL . 0.4 OUTLIER -59.8 -61.79 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.786 ' CE1' ' HB3' ' A' ' 35' ' ' LEU . 2.0 t80 -66.17 -27.27 67.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.487 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -75.56 -41.87 28.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 1.102 ' CE2' ' HA ' ' A' ' 91' ' ' ALA . 0.2 OUTLIER -55.96 -53.09 61.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 0.761 . . . . 0.0 111.026 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.963 ' HB3' ' HG ' ' A' ' 35' ' ' LEU . 6.5 tp -56.48 -44.18 80.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.605 ' HG3' ' N ' ' A' ' 27' ' ' SER . 0.1 OUTLIER -55.94 -34.78 65.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.605 ' N ' ' HG3' ' A' ' 26' ' ' GLN . 6.1 t -63.28 -74.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 110.008 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.7 t -143.01 47.9 1.51 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.012 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.483 ' HA3' ' HA ' ' A' ' 25' ' ' LEU . . . -87.62 -140.63 6.74 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.517 1.136 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.541 ' HB3' ' CG ' ' A' ' 34' ' ' GLU . 34.8 t -87.07 -93.1 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.455 ' H ' ' HB2' ' A' ' 34' ' ' GLU . 2.9 p -145.25 173.59 11.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.393 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -49.4 -54.61 16.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.49 ' O ' ' CG2' ' A' ' 37' ' ' VAL . 9.9 tt0 -51.11 -29.44 13.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.234 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.626 ' HB3' HD22 ' A' ' 25' ' ' LEU . 3.5 tp10 -67.84 -58.49 4.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.963 ' HG ' ' HB3' ' A' ' 25' ' ' LEU . 7.2 mp -45.17 -35.61 3.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.155 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 1.1 tt0 -66.33 -50.5 63.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.267 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.585 ' CG1' HD21 ' A' ' 167' ' ' LEU . 1.9 t -64.09 -58.92 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.354 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.803 ' HB3' ' CG ' ' A' ' 171' ' ' PHE . 4.7 mt -66.96 -50.53 62.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.265 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.688 ' HA3' ' O ' ' A' ' 35' ' ' LEU . . . -56.43 -54.68 34.29 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.542 1.151 . . . . 0.0 111.042 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.494 ' CB ' ' O ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.772 . . . . 0.0 110.319 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.439 ' O ' ' HB3' ' A' ' 85' ' ' ASN . 50.5 mm . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.454 ' O ' ' CG1' ' A' ' 86' ' ' ILE . 7.0 mm -61.36 -42.71 94.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.585 ' CE1' HD12 ' A' ' 16' ' ' ILE . 92.4 m-70 -62.86 -38.22 89.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.627 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.439 ' HB3' ' O ' ' A' ' 82' ' ' ILE . 7.0 t30 -56.9 -52.48 64.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.454 ' CG1' ' O ' ' A' ' 83' ' ' ILE . 4.3 pt -61.37 -30.39 47.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.633 ' O ' ' HB2' ' A' ' 90' ' ' LEU . . . -55.45 -51.36 67.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.583 ' O ' ' CB ' ' A' ' 27' ' ' SER . 12.2 mtt180 -64.7 -44.88 88.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.499 ' O ' ' HB ' ' A' ' 93' ' ' ILE . 5.5 t60 -54.31 -22.15 11.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.613 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.636 ' CD2' ' CD2' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -55.88 -66.09 0.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 1.102 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . . . -52.66 -55.29 23.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.97 -28.78 7.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.294 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.534 ' O ' ' N ' ' A' ' 97' ' ' MET . 0.1 OUTLIER -72.48 -32.25 41.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.514 ' HA2' ' CE ' ' A' ' 153' ' ' MET . . . -59.54 -51.73 57.32 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.498 1.124 . . . . 0.0 110.967 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -64.8 -51.84 60.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 0.753 . . . . 0.0 109.357 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' A' ' 99' ' ' HIS . 1.6 tp10 -61.45 -38.87 88.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.54 ' SD ' ' CD1' ' A' ' 150' ' ' ILE . 4.6 mmt -51.27 -50.54 59.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -41.31 -26.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.332 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.47 ' N ' ' C ' ' A' ' 97' ' ' MET . 3.6 t60 -57.37 -47.77 80.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.615 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.466 ' N ' ' O ' ' A' ' 97' ' ' MET . 0.7 OUTLIER -143.01 84.26 1.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.701 ' CG2' ' O ' ' A' ' 101' ' ' ILE . 0.1 OUTLIER -140.47 92.64 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.902 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 0.0 OUTLIER 151.97 52.15 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.316 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.902 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.2 Cg_endo -75.01 12.99 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.0 111.011 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.71 ' O ' ' CB ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER 160.13 5.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.404 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.71 ' CB ' ' O ' ' A' ' 104' ' ' THR . 4.6 tt 106.99 33.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.763 ' HB ' ' HD2' ' A' ' 103' ' ' PRO . 1.8 t -63.48 -81.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.577 ' N ' ' CG1' ' A' ' 106' ' ' VAL . 0.0 OUTLIER -51.98 -32.22 32.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.321 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.429 ' CB ' ' HG ' ' A' ' 105' ' ' LEU . 2.9 mm-40 -63.11 -33.61 75.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.318 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 1.072 HD11 ' C ' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -62.61 -59.89 4.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.358 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 1.214 ' O ' ' CD2' ' A' ' 113' ' ' PHE . . . -46.01 -58.05 3.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.552 ' CB ' HD13 ' A' ' 154' ' ' LEU . . . -60.4 -17.32 43.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.787 ' NE2' HD11 ' A' ' 109' ' ' LEU . 0.3 OUTLIER -64.57 -44.12 91.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 1.214 ' CD2' ' O ' ' A' ' 110' ' ' ALA . 3.1 p90 -63.38 -40.27 96.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 111.049 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.857 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 1.8 ttt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.806 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 35.8 mtm180 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -47.73 -19.88 0.24 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . 0.629 ' HB3' ' CD1' ' A' ' 113' ' ' PHE . 0.1 OUTLIER -42.11 -47.41 4.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 108.286 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.806 ' HG ' ' O ' ' A' ' 124' ' ' ARG . 0.0 OUTLIER -54.16 -69.78 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -50.14 -29.58 9.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -59.61 -29.12 67.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.791 ' HB3' ' CD2' ' A' ' 113' ' ' PHE . . . -72.41 -47.51 48.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.705 ' HA ' ' HE2' ' A' ' 177' ' ' PHE . 0.1 OUTLIER -40.07 -48.83 2.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.787 ' O ' ' HB ' ' A' ' 136' ' ' THR . 0.9 OUTLIER -64.62 -52.79 55.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.523 ' CB ' HD12 ' A' ' 109' ' ' LEU . 13.1 mm-40 -53.77 -66.79 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.887 ' HA ' HD22 ' A' ' 109' ' ' LEU . 0.2 OUTLIER -53.12 -38.17 29.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . 0.687 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 0.2 OUTLIER -80.12 13.67 2.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' THR . . . . . 0.787 ' HB ' ' O ' ' A' ' 132' ' ' ASP . 0.6 OUTLIER -128.93 -14.0 4.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.42 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . 0.649 ' C ' ' HD3' ' A' ' 139' ' ' PRO . . . -102.38 -56.91 2.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . 0.888 ' CZ ' HD22 ' A' ' 109' ' ' LEU . 0.1 OUTLIER -124.43 47.8 2.12 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 111.0 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . 0.698 ' HD3' ' N ' ' A' ' 138' ' ' PHE . 18.3 Cg_endo -74.95 157.54 42.91 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.464 1.771 . . . . 0.0 111.018 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . 0.792 ' CB ' ' HB2' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 169.61 -144.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . 0.529 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 1.5 m-20 -87.12 -146.83 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' MET . . . . . 0.573 ' O ' ' OH ' ' A' ' 185' ' ' TYR . 13.1 ttp -54.79 -31.46 58.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 111.001 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.89 -62.23 1.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.285 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . 0.792 ' HB2' ' CB ' ' A' ' 140' ' ' ARG . 1.0 OUTLIER -74.36 -53.72 9.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . 0.557 ' O ' ' HG2' ' A' ' 148' ' ' MET . 29.0 t0 -38.98 -57.04 1.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.581 ' N ' ' OH ' ' A' ' 185' ' ' TYR . 10.7 ttmt -46.72 -30.83 2.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.627 ' CB ' ' O ' ' A' ' 144' ' ' ASN . . . -56.81 -55.03 39.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' MET . . . . . 0.611 ' HA ' HG12 ' A' ' 134' ' ' VAL . 7.3 ptp -53.46 -41.14 65.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.965 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.502 ' N ' ' CG ' ' A' ' 148' ' ' MET . 0.1 OUTLIER -61.33 -41.93 97.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . 0.588 ' O ' ' HG3' ' A' ' 153' ' ' MET . 17.4 mt -54.49 -27.42 17.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.168 . . . . 0.0 109.343 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' MET . . . . . 1.016 ' HB2' ' CZ ' ' A' ' 177' ' ' PHE . 0.5 OUTLIER -62.88 -48.44 79.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' THR . . . . . 0.91 ' OG1' ' O ' ' A' ' 173' ' ' THR . 0.8 OUTLIER -54.15 -55.52 27.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.126 . . . . 0.0 110.388 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' MET . . . . . 0.588 ' HG3' ' O ' ' A' ' 150' ' ' ILE . 0.0 OUTLIER -65.79 -25.15 67.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 111.029 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.641 ' HB3' ' O ' ' A' ' 151' ' ' MET . 0.0 OUTLIER -53.71 -60.06 3.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.642 ' CD1' ' O ' ' A' ' 151' ' ' MET . 3.6 mp -50.71 -45.96 58.69 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . 1.138 ' O ' ' N ' ' A' ' 160' ' ' ALA . . . -60.55 -64.59 0.9 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.608 ' O ' ' HB2' ' A' ' 162' ' ' HIS . 0.0 OUTLIER -44.67 -36.85 3.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.256 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . 0.826 ' O ' ' N ' ' A' ' 163' ' ' ALA . 4.5 mmtt -81.05 -38.68 27.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' VAL . . . . . 0.639 ' N ' ' O ' ' A' ' 155' ' ' LEU . 6.8 t -100.01 -47.73 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . 1.138 ' N ' ' O ' ' A' ' 156' ' ' ALA . . . -24.08 -69.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.92 -6.55 5.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 0.0 109.975 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . 0.656 ' CB ' ' O ' ' A' ' 158' ' ' LYS . 1.8 m-70 -87.17 -41.99 13.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 109.589 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . 0.826 ' N ' ' O ' ' A' ' 158' ' ' LYS . . . -132.23 89.61 36.85 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 49.26 2.21 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.462 1.769 . . . . 0.0 111.033 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.71 -24.34 17.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.986 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . 0.537 ' CD1' ' HB2' ' A' ' 169' ' ' ASP . 0.3 OUTLIER -142.85 118.1 10.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . 0.764 ' CD2' HD22 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -85.93 -77.04 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . 0.501 ' HG3' ' N ' ' A' ' 169' ' ' ASP . 0.4 OUTLIER -51.11 -39.96 57.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.289 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . 0.537 ' HB2' ' CD1' ' A' ' 166' ' ' LEU . 0.1 OUTLIER -59.96 -39.9 87.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 170' ' ' VAL . . . . . 0.581 ' CG1' ' N ' ' A' ' 171' ' ' PHE . 0.4 OUTLIER -52.21 -56.64 5.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . 0.931 ' CE1' HD23 ' A' ' 25' ' ' LEU . 1.1 m-30 -61.77 -52.15 65.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 172' ' ' HIS . . . . . 0.575 ' O ' ' CB ' ' A' ' 176' ' ' ASN . 4.7 t60 -52.22 -35.84 50.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.565 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 173' ' ' THR . . . . . 0.91 ' O ' ' OG1' ' A' ' 152' ' ' THR . 26.5 m -61.05 -52.29 65.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 110.38 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 174' ' ' THR . . . . . 0.712 ' HA ' ' CG2' ' A' ' 152' ' ' THR . 40.2 p -59.46 -64.1 1.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.387 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 175' ' ' VAL . . . . . 0.854 ' CG2' ' HB ' ' A' ' 21' ' ' VAL . 2.1 t -66.24 -0.14 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 176' ' ' ASN . . . . . 0.847 ' HB3' ' O ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -72.18 -59.35 2.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 177' ' ' PHE . . . . . 1.016 ' CZ ' ' HB2' ' A' ' 151' ' ' MET . 5.8 m-85 -52.04 -44.31 64.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 178' ' ' ILE . . . . . 0.656 HD13 ' O ' ' A' ' 174' ' ' THR . 2.3 mt -63.24 -54.81 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 179' ' ' ASN . . . . . 0.549 ' C ' ' ND2' ' A' ' 179' ' ' ASN . 0.1 OUTLIER -53.88 -35.38 61.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 180' ' ' GLN . . . . . 0.597 ' HB2' ' O ' ' A' ' 177' ' ' PHE . 26.2 mm-40 -51.26 -101.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.583 1.177 . . . . 0.0 110.29 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -119.19 -5.33 10.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.346 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 182' ' ' LEU . . . . . 0.699 ' CD1' ' N ' ' A' ' 182' ' ' LEU . 0.0 OUTLIER -93.67 22.75 5.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 183' ' ' PHE . . . . . 0.586 ' N ' ' O ' ' A' ' 178' ' ' ILE . 1.3 t80 -35.28 -31.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 184' ' ' SER . . . . . 0.511 ' N ' ' O ' ' A' ' 182' ' ' LEU . 0.0 OUTLIER -154.55 119.32 4.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.051 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 185' ' ' TYR . . . . . 0.581 ' OH ' ' N ' ' A' ' 146' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.52 ' CD1' ' CG2' ' A' ' 83' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.584 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 5.3 m -49.6 -43.34 46.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.394 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.97 -39.31 59.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.559 ' O ' ' N ' ' A' ' 23' ' ' GLY . 1.2 mm? -64.23 -29.84 70.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.724 ' C ' ' CD1' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -63.1 -49.4 74.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.755 ' N ' ' CG2' ' A' ' 175' ' ' VAL . 0.5 OUTLIER -58.29 -62.46 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.746 ' HA ' ' CE2' ' A' ' 171' ' ' PHE . 0.9 OUTLIER -62.18 -32.8 73.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -75.64 -34.73 48.49 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.12 . . . . 0.0 111.041 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 1.03 ' CE2' ' HA ' ' A' ' 91' ' ' ALA . 5.6 t80 -52.86 -58.73 5.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.788 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.876 ' HB2' ' CZ ' ' A' ' 171' ' ' PHE . 0.5 OUTLIER -57.05 -43.16 81.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -54.05 -33.73 58.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.286 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.536 ' CB ' ' O ' ' A' ' 88' ' ' ARG . 0.6 OUTLIER -68.03 -93.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.972 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.8 41.67 1.31 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.023 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.477 ' HA3' HD11 ' A' ' 25' ' ' LEU . . . -78.78 -119.2 0.25 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.446 ' HB3' ' HG2' ' A' ' 34' ' ' GLU . 49.7 t -77.68 -93.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 34' ' ' GLU . 0.6 OUTLIER -141.62 150.73 42.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 110.405 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.524 ' HA ' HD21 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -42.71 -55.17 3.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 110.327 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -55.0 -26.14 34.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.704 ' C ' HD22 ' A' ' 25' ' ' LEU . 6.6 tp10 -68.45 -55.78 10.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.707 ' CD1' ' CE1' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -44.53 -36.51 3.01 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.485 ' N ' ' HG ' ' A' ' 35' ' ' LEU . 14.5 tm-20 -71.25 -46.28 61.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.65 ' CG1' HD22 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -61.0 -57.68 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 1.031 ' HB2' ' CD2' ' A' ' 171' ' ' PHE . 11.4 mt -69.22 -42.01 76.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.575 ' HA3' ' CD1' ' A' ' 22' ' ' PHE . . . -46.76 -41.81 13.85 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.566 0.803 . . . . 0.0 110.279 -179.994 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 27.2 mm . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.52 ' CG2' ' CD1' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -52.33 -32.36 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.413 ' CE1' ' CD1' ' A' ' 16' ' ' ILE . 56.7 m80 -63.64 -60.18 3.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.565 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.428 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 15.8 t-20 -53.76 -47.14 70.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.443 ' CG2' HD12 ' A' ' 83' ' ' ILE . 0.1 OUTLIER -62.46 -30.27 48.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.329 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.722 ' O ' ' HB2' ' A' ' 90' ' ' LEU . . . -56.43 -60.75 3.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.536 ' O ' ' CB ' ' A' ' 27' ' ' SER . 4.5 ptt85 -64.71 -37.68 88.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.498 ' CE1' HD13 ' A' ' 93' ' ' ILE . 19.2 t-160 -53.97 -24.19 15.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.602 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.722 ' HB2' ' O ' ' A' ' 87' ' ' ALA . 0.4 OUTLIER -54.66 -60.83 2.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 1.03 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . . . -53.14 -56.27 17.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -49.95 -28.87 7.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.113 . . . . 0.0 110.29 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.557 ' O ' ' SD ' ' A' ' 97' ' ' MET . 0.1 OUTLIER -70.8 -36.02 62.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.08 . . . . 0.0 109.286 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.452 ' N ' HG21 ' A' ' 93' ' ' ILE . . . -58.56 -53.28 47.3 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.413 ' O ' ' OD1' ' A' ' 98' ' ' ASP . 22.3 t70 -61.29 -52.66 63.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 0.745 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -37.69 79.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.557 ' SD ' ' O ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -51.12 -49.36 60.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 111.017 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 99' ' ' HIS . 1.3 p-10 -38.55 -30.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.464 ' N ' ' O ' ' A' ' 97' ' ' MET . 25.6 t60 -54.66 -49.38 70.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.142 . . . . 0.0 109.615 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.494 ' N ' ' O ' ' A' ' 97' ' ' MET . 39.5 t-20 -146.49 87.62 1.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.356 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.531 ' CG2' ' O ' ' A' ' 101' ' ' ILE . 0.3 OUTLIER -145.36 101.07 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.907 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 0.0 OUTLIER 163.11 48.86 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 110.321 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.907 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.1 Cg_endo -75.04 7.13 3.01 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.544 1.813 . . . . 0.0 110.963 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.769 ' O ' ' HB3' ' A' ' 105' ' ' LEU . 0.8 OUTLIER 168.43 -3.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.421 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.769 ' HB3' ' O ' ' A' ' 104' ' ' THR . 0.2 OUTLIER 111.83 39.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.79 ' HA ' ' CZ ' ' A' ' 138' ' ' PHE . 1.8 m -50.25 -70.56 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.337 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.691 ' O ' ' CB ' ' A' ' 111' ' ' ALA . 7.9 ttt-85 -48.39 -43.26 33.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.261 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.411 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 38.9 mt-30 -70.28 -21.92 62.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 1.358 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 0.3 OUTLIER -69.07 -64.73 0.81 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 1.193 ' O ' ' CD2' ' A' ' 113' ' ' PHE . . . -68.08 -36.05 79.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.691 ' CB ' ' O ' ' A' ' 107' ' ' ARG . . . -63.21 -36.88 85.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 1.358 ' HG3' ' O ' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -51.68 -58.33 6.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.309 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 1.193 ' CD2' ' O ' ' A' ' 110' ' ' ALA . 1.0 OUTLIER -52.62 -43.43 65.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.825 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 9.3 tpt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.972 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.573 ' HA ' ' CD1' ' A' ' 127' ' ' LEU . 2.0 ttm180 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . 0.454 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 2.4 m-20 -67.62 -43.31 80.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . 0.475 ' HB3' ' CD1' ' A' ' 113' ' ' PHE . 0.1 OUTLIER -52.88 -57.55 9.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 108.288 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.917 ' HA ' ' CZ ' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -53.43 -63.12 1.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 0.0 109.327 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.524 ' O ' ' CD2' ' A' ' 131' ' ' LEU . . . -44.87 -44.06 9.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' A' ' 125' ' ' ASN . 0.0 OUTLIER -62.28 -17.12 57.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.858 ' HB1' ' CE2' ' A' ' 113' ' ' PHE . . . -74.25 -49.45 23.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.767 ' N ' ' CZ ' ' A' ' 177' ' ' PHE . 0.0 OUTLIER -46.9 -40.78 14.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.432 ' N ' ' HG ' ' A' ' 131' ' ' LEU . 4.2 m-20 -65.61 -48.68 71.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.342 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.778 ' O ' ' OG1' ' A' ' 136' ' ' THR . 1.9 mm-40 -57.76 -58.78 6.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.811 ' CG2' ' CE2' ' A' ' 138' ' ' PHE . 0.2 OUTLIER -54.58 -39.36 45.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . 0.528 ' NZ ' ' CD1' ' A' ' 131' ' ' LEU . 18.9 mtmt -74.71 -0.29 17.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' THR . . . . . 0.778 ' OG1' ' O ' ' A' ' 133' ' ' GLU . 2.4 p -116.78 -15.59 10.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.145 . . . . 0.0 110.387 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . 0.575 ' HB1' ' CE1' ' A' ' 138' ' ' PHE . . . -101.52 -54.95 2.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . 0.811 ' CE2' ' CG2' ' A' ' 134' ' ' VAL . 0.1 OUTLIER -125.8 64.77 51.82 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 111.015 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . 0.62 ' C ' ' HB2' ' A' ' 144' ' ' ASN . 18.2 Cg_endo -75.0 157.15 42.93 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.499 1.789 . . . . 0.0 110.956 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . 0.809 ' N ' ' CB ' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 169.66 -167.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.294 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . 0.615 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 10.7 m-20 -86.46 -106.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 3.7 ptt? -69.21 -31.67 70.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . 0.414 ' O ' ' HB1' ' A' ' 147' ' ' ALA . 2.1 mt-10 -65.72 -60.25 3.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.331 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . 0.809 ' CB ' ' N ' ' A' ' 140' ' ' ARG . 1.3 t30 -67.33 -56.26 10.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . 0.615 ' CB ' ' O ' ' A' ' 141' ' ' ASP . 55.4 t0 -39.08 -56.41 1.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.589 ' HB2' ' CZ ' ' A' ' 185' ' ' TYR . 4.2 ttmt -64.82 -28.39 69.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.605 ' N ' ' O ' ' A' ' 144' ' ' ASN . . . -62.05 -57.19 12.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' MET . . . . . 0.794 ' O ' ' HB2' ' A' ' 151' ' ' MET . 0.0 OUTLIER -50.54 -47.49 57.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 111.037 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.78 ' N ' ' HG3' ' A' ' 148' ' ' MET . 0.9 OUTLIER -52.7 -40.2 62.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . 0.507 ' CG1' ' HG2' ' A' ' 97' ' ' MET . 1.3 mp -62.0 -25.13 36.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' MET . . . . . 0.887 ' HB2' ' CE2' ' A' ' 177' ' ' PHE . 0.0 OUTLIER -57.62 -57.79 11.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.969 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' THR . . . . . 1.161 ' OG1' ' O ' ' A' ' 173' ' ' THR . 4.8 t -57.14 -48.42 78.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.422 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' MET . . . . . 0.535 ' N ' HG21 ' A' ' 152' ' ' THR . 49.1 mtm -64.45 -28.01 69.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.972 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.781 ' C ' ' CD2' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -55.67 -53.92 50.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.745 ' O ' ' CG2' ' A' ' 159' ' ' VAL . 4.8 mp -47.44 -58.72 3.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . 0.63 ' O ' ' HB2' ' A' ' 161' ' ' SER . . . -54.89 -52.12 63.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.743 ' HA ' ' CB ' ' A' ' 161' ' ' SER . 0.4 OUTLIER -46.03 -49.56 16.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.263 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . 0.579 ' O ' ' CB ' ' A' ' 162' ' ' HIS . 0.1 OUTLIER -75.79 -43.47 46.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.309 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' VAL . . . . . 1.079 ' O ' ' N ' ' A' ' 163' ' ' ALA . 7.2 t -71.86 -129.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . 0.606 ' H ' HG13 ' A' ' 159' ' ' VAL . . . -25.65 -62.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 161' ' ' SER . . . . . 0.743 ' CB ' ' HA ' ' A' ' 157' ' ' LYS . 0.5 OUTLIER -49.74 -12.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.003 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . 0.977 ' N ' ' O ' ' A' ' 159' ' ' VAL . 0.3 OUTLIER -151.53 -49.64 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.604 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . 1.079 ' N ' ' O ' ' A' ' 159' ' ' VAL . . . -110.34 93.92 17.24 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 164' ' ' PRO . . . . . 0.463 ' HD3' ' O ' ' A' ' 162' ' ' HIS . 18.2 Cg_endo -74.97 61.53 5.66 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.545 1.813 . . . . 0.0 110.967 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.88 -47.23 3.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.983 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . 0.621 ' O ' ' N ' ' A' ' 170' ' ' VAL . 0.0 OUTLIER -117.61 66.42 0.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.262 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . 0.975 ' C ' HD23 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -53.56 -70.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . 0.836 ' H ' ' CD1' ' A' ' 167' ' ' LEU . 4.8 ptt85 -46.55 -46.67 19.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.333 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . 0.589 ' N ' ' HG3' ' A' ' 168' ' ' ARG . 29.2 m-20 -65.07 -37.06 86.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.102 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 170' ' ' VAL . . . . . 0.705 ' CG2' ' HB ' ' A' ' 159' ' ' VAL . 1.2 t -51.77 -60.45 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . 1.031 ' CD2' ' HB2' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -53.2 -53.01 56.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 172' ' ' HIS . . . . . 0.499 ' O ' ' HB3' ' A' ' 176' ' ' ASN . 20.8 t-160 -52.16 -33.58 41.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.591 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 173' ' ' THR . . . . . 1.161 ' O ' ' OG1' ' A' ' 152' ' ' THR . 48.9 m -60.05 -55.96 27.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.58 1.175 . . . . 0.0 110.42 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 174' ' ' THR . . . . . 0.652 ' O ' HD13 ' A' ' 178' ' ' ILE . 17.4 p -53.35 -64.8 0.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.412 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 175' ' ' VAL . . . . . 0.755 ' CG2' ' N ' ' A' ' 21' ' ' VAL . 11.7 t -69.82 8.43 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 176' ' ' ASN . . . . . 0.826 ' HB3' ' O ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -78.88 -54.9 5.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 177' ' ' PHE . . . . . 0.887 ' CE2' ' HB2' ' A' ' 151' ' ' MET . 0.8 OUTLIER -59.32 -52.78 64.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 178' ' ' ILE . . . . . 0.652 HD13 ' O ' ' A' ' 174' ' ' THR . 1.8 mt -51.66 -51.51 26.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -56.96 -39.93 75.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -92.87 2.93 56.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.698 ' N ' ' O ' ' A' ' 177' ' ' PHE . 6.7 t-20 -100.4 -147.43 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 182' ' ' LEU . . . . . 0.571 ' CD1' ' N ' ' A' ' 182' ' ' LEU . 0.0 OUTLIER -96.67 42.36 1.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 183' ' ' PHE . . . . . 0.843 ' O ' ' CG ' ' A' ' 183' ' ' PHE . 1.7 t80 25.64 46.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 111.004 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 184' ' ' SER . . . . . 0.582 ' CB ' ' O ' ' A' ' 183' ' ' PHE . 1.7 m 153.34 132.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.103 . . . . 0.0 110.004 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 185' ' ' TYR . . . . . 0.589 ' CZ ' ' HB2' ' A' ' 146' ' ' LYS . 25.1 t80 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 111.025 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.558 HD13 ' CE1' ' A' ' 84' ' ' HIS . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.696 HG23 HG11 ' A' ' 175' ' ' VAL . 87.8 m -53.51 -45.99 69.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.368 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -50.84 -41.02 57.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 23' ' ' GLY . 3.9 mm? -65.12 -27.3 68.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.653 ' HB3' ' O ' ' A' ' 17' ' ' THR . 2.0 tm? -63.13 -42.75 99.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.892 ' HB ' ' CG2' ' A' ' 175' ' ' VAL . 0.4 OUTLIER -61.27 -61.68 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.843 ' CD1' ' HG ' ' A' ' 35' ' ' LEU . 3.7 t80 -61.36 -32.98 72.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -76.11 -36.14 41.54 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.452 1.095 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 1.026 ' CE2' ' HA ' ' A' ' 91' ' ' ALA . 1.9 t80 -51.85 -56.2 15.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 0.75 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.811 ' HB2' ' CZ ' ' A' ' 171' ' ' PHE . 0.3 OUTLIER -58.97 -43.8 91.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.526 ' CG ' ' CD1' ' A' ' 35' ' ' LEU . 3.3 tt0 -54.06 -31.68 52.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.568 1.167 . . . . 0.0 110.278 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.568 ' CB ' ' O ' ' A' ' 88' ' ' ARG . 34.1 t -67.04 -96.59 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.009 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.43 33.65 1.31 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.008 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -77.42 -103.76 0.17 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.459 1.1 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.511 ' CB ' ' HG2' ' A' ' 34' ' ' GLU . 0.8 OUTLIER -88.76 -98.22 0.09 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 34' ' ' GLU . 47.4 m -147.88 157.14 43.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.371 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.48 ' O ' HD21 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -44.34 -53.03 7.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.296 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -59.55 -27.4 66.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.282 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.592 ' CG ' HD22 ' A' ' 25' ' ' LEU . 2.0 tp10 -67.6 -55.01 15.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.1 . . . . 0.0 110.296 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.843 ' HG ' ' CD1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -48.39 -32.96 8.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.635 ' N ' ' CD2' ' A' ' 35' ' ' LEU . 26.3 tt0 -70.85 -49.26 48.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.627 ' CG1' HD22 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -63.76 -56.86 14.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.794 ' HB2' ' CD2' ' A' ' 171' ' ' PHE . 9.7 mt -64.59 -43.84 92.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.817 ' HA3' ' CD2' ' A' ' 22' ' ' PHE . . . -59.82 -51.96 55.81 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.48 0.753 . . . . 0.0 110.292 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.477 ' O ' ' CG1' ' A' ' 86' ' ' ILE . 0.7 OUTLIER -52.79 -46.49 51.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.558 ' CE1' HD13 ' A' ' 16' ' ' ILE . 69.9 m80 -61.4 -36.69 81.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.646 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.525 ' O ' ' CG ' ' A' ' 88' ' ' ARG . 3.3 t30 -55.51 -51.26 67.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.477 ' CG1' ' O ' ' A' ' 83' ' ' ILE . 2.5 pt -63.19 -27.39 43.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.664 ' O ' ' HB2' ' A' ' 90' ' ' LEU . . . -55.51 -55.92 26.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.568 ' O ' ' CB ' ' A' ' 27' ' ' SER . 9.0 ptp180 -63.68 -40.92 98.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.267 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.532 ' NE2' ' CD1' ' A' ' 93' ' ' ILE . 11.8 t-160 -58.64 -18.73 32.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.584 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.664 ' HB2' ' O ' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -61.0 -67.36 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 1.026 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . . . -48.93 -54.53 15.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.418 ' HB2' ' OG ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -51.91 -27.12 11.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.532 ' CD1' ' NE2' ' A' ' 89' ' ' HIS . 1.1 tp -69.29 -36.89 74.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.423 ' N ' HG21 ' A' ' 93' ' ' ILE . . . -62.73 -54.82 30.9 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -63.1 -49.22 75.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 0.776 . . . . 0.0 109.327 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -60.66 -45.14 95.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.528 ' CG ' ' O ' ' A' ' 93' ' ' ILE . 15.0 mmm -54.58 -30.37 54.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.102 . . . . 0.0 111.039 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 97' ' ' MET . 44.4 t0 -37.36 -32.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 97' ' ' MET . 0.6 OUTLIER -51.82 -48.68 63.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.605 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 97' ' ' MET . 1.2 t-20 -144.6 86.57 1.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.681 ' CG2' ' O ' ' A' ' 101' ' ' ILE . 0.7 OUTLIER -117.13 54.5 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.662 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 0.0 OUTLIER 157.26 58.59 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.365 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.662 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.3 Cg_endo -75.01 3.69 5.4 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.469 1.773 . . . . 0.0 110.985 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.668 ' O ' ' CB ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -172.64 5.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.395 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.668 ' CB ' ' O ' ' A' ' 104' ' ' THR . 0.5 OUTLIER 103.88 28.85 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.719 ' CG1' ' N ' ' A' ' 107' ' ' ARG . 0.9 OUTLIER -64.27 -79.44 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.142 . . . . 0.0 109.305 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.719 ' N ' ' CG1' ' A' ' 106' ' ' VAL . 4.8 ttp180 -55.59 -21.55 17.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.328 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.468 ' O ' ' HB3' ' A' ' 112' ' ' GLN . 18.6 tt0 -65.27 -40.72 94.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 110.272 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.895 HD22 ' CZ ' ' A' ' 138' ' ' PHE . 0.2 OUTLIER -63.79 -61.32 2.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 1.139 ' O ' ' CD2' ' A' ' 113' ' ' PHE . . . -50.26 -53.6 27.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.43 -16.03 59.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.761 ' HG2' ' N ' ' A' ' 113' ' ' PHE . 0.7 OUTLIER -63.45 -46.79 84.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 1.139 ' CD2' ' O ' ' A' ' 110' ' ' ALA . 3.3 p90 -63.5 -43.17 98.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.827 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 2.0 ttm . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.663 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 48.9 ttt180 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . 0.437 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 7.8 t-20 -68.81 -35.21 76.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . 0.565 ' HB3' ' CD1' ' A' ' 113' ' ' PHE . 0.5 OUTLIER -48.74 -59.4 3.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 108.294 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.938 ' HA ' ' CZ ' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -51.31 -67.57 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.51 ' O ' HD11 ' A' ' 131' ' ' LEU . . . -43.82 -33.04 1.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.437 ' HB2' ' O ' ' A' ' 125' ' ' ASN . 0.3 OUTLIER -55.79 -34.74 65.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.348 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.816 ' HB3' ' CD2' ' A' ' 113' ' ' PHE . . . -72.49 -38.37 68.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 1.0 ' O ' ' HB2' ' A' ' 135' ' ' LYS . 0.0 OUTLIER -48.3 -44.21 33.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 1.103 ' O ' ' OG1' ' A' ' 136' ' ' THR . 32.4 t0 -67.71 -62.11 1.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.522 ' CB ' HD12 ' A' ' 109' ' ' LEU . 3.9 mm-40 -52.01 -61.76 2.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.755 ' HA ' HD22 ' A' ' 109' ' ' LEU . 9.6 p -58.4 -44.06 87.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . 1.0 ' HB2' ' O ' ' A' ' 131' ' ' LEU . 0.4 OUTLIER -82.57 29.25 0.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' THR . . . . . 1.103 ' OG1' ' O ' ' A' ' 132' ' ' ASP . 35.0 p -160.34 34.33 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.351 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . 0.646 ' C ' ' HD3' ' A' ' 139' ' ' PRO . . . -146.03 -63.11 0.32 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . 0.895 ' CZ ' HD22 ' A' ' 109' ' ' LEU . 0.8 OUTLIER -123.98 50.35 3.46 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.981 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . 0.646 ' HD3' ' C ' ' A' ' 137' ' ' ALA . 18.3 Cg_endo -74.99 161.62 38.48 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.487 1.782 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . 0.793 ' HB2' ' CG ' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 168.26 -144.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . 0.596 ' O ' ' N ' ' A' ' 145' ' ' ASP . 6.9 m-20 -85.49 -147.35 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' MET . . . . . 0.553 ' O ' ' CB ' ' A' ' 146' ' ' LYS . 0.1 OUTLIER -52.77 -35.22 56.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.995 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.11 -62.88 1.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.272 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . 0.793 ' CG ' ' HB2' ' A' ' 140' ' ' ARG . 0.9 OUTLIER -76.48 -52.99 8.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . 0.596 ' N ' ' O ' ' A' ' 141' ' ' ASP . 36.1 t0 -41.31 -54.03 3.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.553 ' CB ' ' O ' ' A' ' 142' ' ' MET . 14.9 ttpt -53.31 -29.87 35.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.627 ' CB ' ' O ' ' A' ' 144' ' ' ASN . . . -54.27 -56.38 18.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' MET . . . . . 0.684 ' HA ' HG23 ' A' ' 134' ' ' VAL . 0.0 OUTLIER -52.05 -57.42 9.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 111.023 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.526 ' O ' HG23 ' A' ' 152' ' ' THR . 4.4 mp -52.26 -38.5 58.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . 0.504 ' CD1' ' HG3' ' A' ' 97' ' ' MET . 0.3 OUTLIER -61.52 -27.83 42.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' MET . . . . . 0.864 ' HB2' ' CE2' ' A' ' 177' ' ' PHE . 2.8 mmm -60.81 -59.64 5.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.964 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' THR . . . . . 0.946 ' OG1' ' O ' ' A' ' 173' ' ' THR . 4.8 t -54.18 -44.28 71.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.412 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' MET . . . . . 0.511 ' N ' HG21 ' A' ' 152' ' ' THR . 24.3 mtm -64.0 -32.16 73.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.954 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.75 ' C ' ' CD2' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -54.68 -54.36 42.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.742 ' O ' ' N ' ' A' ' 159' ' ' VAL . 5.0 mp -49.51 -57.34 7.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . 0.637 ' O ' ' N ' ' A' ' 160' ' ' ALA . . . -56.16 -50.65 70.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.47 -54.64 13.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . 0.717 ' O ' ' N ' ' A' ' 162' ' ' HIS . 0.9 OUTLIER -75.79 -58.31 3.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' VAL . . . . . 0.742 ' N ' ' O ' ' A' ' 155' ' ' LEU . 58.1 t -47.07 -46.22 8.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.132 . . . . 0.0 109.309 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . 0.637 ' N ' ' O ' ' A' ' 156' ' ' ALA . . . -33.12 -51.85 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.09 -10.91 13.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.575 1.172 . . . . 0.0 110.002 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . 0.717 ' N ' ' O ' ' A' ' 158' ' ' LYS . 13.4 t-80 -87.39 -51.2 6.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.629 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . 0.608 ' CB ' ' CG1' ' A' ' 159' ' ' VAL . . . -116.98 79.59 10.5 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 164' ' ' PRO . . . . . 0.407 ' HD3' ' C ' ' A' ' 162' ' ' HIS . 18.3 Cg_endo -74.99 0.56 8.75 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.553 1.817 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.4 -15.55 20.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.037 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 1.6 mt -115.15 34.92 4.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . 0.791 ' N ' HD11 ' A' ' 167' ' ' LEU . 0.0 OUTLIER -47.4 -53.88 12.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . 0.74 ' H ' HD11 ' A' ' 167' ' ' LEU . 0.5 OUTLIER -54.6 -40.38 68.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.326 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . 0.596 ' O ' ' OG1' ' A' ' 173' ' ' THR . 0.9 OUTLIER -66.67 -37.74 85.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 170' ' ' VAL . . . . . 0.606 ' CG2' ' HA ' ' A' ' 156' ' ' ALA . 1.2 t -46.99 -60.43 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . 0.816 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 0.1 OUTLIER -58.58 -49.06 78.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 110.966 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 172' ' ' HIS . . . . . 0.567 ' O ' ' CB ' ' A' ' 176' ' ' ASN . 18.6 t60 -52.84 -30.74 35.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.592 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 173' ' ' THR . . . . . 0.946 ' O ' ' OG1' ' A' ' 152' ' ' THR . 5.7 m -62.78 -68.9 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.421 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 174' ' ' THR . . . . . 0.815 HG21 ' O ' ' A' ' 171' ' ' PHE . 0.6 OUTLIER -44.27 -58.98 2.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.37 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 175' ' ' VAL . . . . . 0.892 ' CG2' ' HB ' ' A' ' 21' ' ' VAL . 2.8 t -74.47 8.83 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 176' ' ' ASN . . . . . 0.876 ' HB3' ' O ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -84.3 -55.93 3.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 177' ' ' PHE . . . . . 0.948 ' O ' ' N ' ' A' ' 181' ' ' ASN . 0.6 OUTLIER -60.61 -55.77 29.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 111.01 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 178' ' ' ILE . . . . . 0.601 HD12 ' HG ' ' A' ' 20' ' ' LEU . 3.0 mt -45.85 -56.41 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 179' ' ' ASN . . . . . 0.611 ' OD1' ' O ' ' A' ' 176' ' ' ASN . 0.1 OUTLIER -59.28 -37.19 77.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.28 14.74 31.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.948 ' N ' ' O ' ' A' ' 177' ' ' PHE . 43.2 t30 -98.22 -140.63 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 182' ' ' LEU . . . . . 0.589 ' H ' ' CG ' ' A' ' 181' ' ' ASN . 0.1 OUTLIER -94.0 30.73 1.79 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 183' ' ' PHE . . . . . 0.72 ' O ' ' CD2' ' A' ' 183' ' ' PHE . 0.1 OUTLIER 31.45 99.35 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.157 . . . . 0.0 111.025 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 184' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' A' ' 183' ' ' PHE . 0.1 OUTLIER 80.11 64.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.984 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 185' ' ' TYR . . . . . 0.63 ' C ' ' CD1' ' A' ' 185' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 111.04 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.618 ' CG2' ' CE2' ' A' ' 183' ' ' PHE . 4.5 tp . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.612 ' CG2' ' HB ' ' A' ' 178' ' ' ILE . 4.0 m -54.74 -49.71 70.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.428 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -48.75 -40.88 30.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.439 ' HG ' ' NE2' ' A' ' 84' ' ' HIS . 2.5 mm? -62.81 -32.03 73.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.622 ' CD2' ' CD2' ' A' ' 90' ' ' LEU . 0.7 OUTLIER -64.34 -40.04 95.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.872 ' HB ' HG23 ' A' ' 175' ' ' VAL . 0.5 OUTLIER -61.74 -64.5 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.692 ' N ' ' CG1' ' A' ' 21' ' ' VAL . 1.1 t80 -62.01 -31.6 71.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -73.57 -37.57 52.56 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 1.084 ' CE2' ' HA ' ' A' ' 91' ' ' ALA . 0.6 OUTLIER -56.86 -55.29 36.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 111.012 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.833 HD23 ' CE1' ' A' ' 171' ' ' PHE . 2.2 tp -56.19 -45.2 79.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.475 ' N ' HD23 ' A' ' 35' ' ' LEU . 1.4 tm0? -58.23 -31.85 67.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.558 ' CB ' ' O ' ' A' ' 88' ' ' ARG . 18.7 t -59.17 -84.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.976 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 t -141.92 37.6 1.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.419 ' HA3' ' HA ' ' A' ' 25' ' ' LEU . . . -83.71 -123.77 0.99 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.476 1.11 . . . . 0.0 110.966 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.511 ' HB3' ' CB ' ' A' ' 34' ' ' GLU . 14.1 t -89.46 -96.65 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.549 ' O ' ' CD2' ' A' ' 35' ' ' LEU . 87.0 m -145.51 169.77 17.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.417 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.702 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 2.2 ttt180 -51.75 -48.33 63.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.425 ' O ' HG22 ' A' ' 37' ' ' VAL . 18.2 tt0 -57.25 -29.84 64.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.521 ' CD ' HD22 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -70.61 -57.29 4.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.329 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.772 ' N ' HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -49.63 -32.13 12.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -64.47 -47.89 77.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.309 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.451 ' CG1' ' CD2' ' A' ' 167' ' ' LEU . 2.0 t -63.98 -57.98 9.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.78 ' HB2' ' CD2' ' A' ' 171' ' ' PHE . 7.5 mt -63.82 -47.36 81.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.674 ' HA3' ' CD2' ' A' ' 22' ' ' PHE . . . -51.56 -45.19 54.18 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.491 1.119 . . . . 0.0 110.967 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.2 ttt85 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.463 0.743 . . . . 0.0 110.275 179.999 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.475 ' O ' ' CG1' ' A' ' 86' ' ' ILE . 5.1 pt -53.44 -47.77 58.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.508 ' CE1' HD12 ' A' ' 16' ' ' ILE . 59.6 m80 -60.37 -31.95 70.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.561 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -59.17 -52.14 66.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.306 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.475 ' CG1' ' O ' ' A' ' 83' ' ' ILE . 4.0 pt -61.47 -31.91 51.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.571 ' O ' ' HB2' ' A' ' 90' ' ' LEU . . . -55.34 -50.42 69.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.558 ' O ' ' CB ' ' A' ' 27' ' ' SER . 1.0 OUTLIER -65.95 -52.58 48.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 110.329 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.691 ' CE1' ' CG1' ' A' ' 93' ' ' ILE . 33.5 t-80 -51.8 -18.57 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.56 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.622 ' CD2' ' CD2' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -59.07 -64.18 1.03 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 1.084 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . . . -54.44 -58.06 8.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.428 ' HB2' ' OG ' ' A' ' 27' ' ' SER . 1.0 OUTLIER -49.38 -31.28 9.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 110.306 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.691 ' CG1' ' CE1' ' A' ' 89' ' ' HIS . 2.2 mm -70.86 -32.63 49.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.43 ' HA2' ' SD ' ' A' ' 153' ' ' MET . . . -60.16 -53.04 49.02 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.465 1.103 . . . . 0.0 110.979 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.476 ' N ' ' HD2' ' A' ' 157' ' ' LYS . 10.1 t70 -63.09 -52.76 61.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 0.759 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.63 -39.95 81.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.552 ' HB2' ' O ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -51.29 -51.04 57.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.434 ' OD2' ' O ' ' A' ' 95' ' ' ASP . 0.0 OUTLIER -39.21 -30.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.447 ' N ' ' C ' ' A' ' 97' ' ' MET . 19.8 t-160 -55.58 -48.8 74.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.617 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' A' ' 97' ' ' MET . 0.7 OUTLIER -145.31 88.02 1.84 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.53 ' CG2' ' O ' ' A' ' 101' ' ' ILE . 0.5 OUTLIER -147.67 95.35 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.92 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 0.0 OUTLIER 159.35 49.82 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.287 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.92 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.3 Cg_endo -75.0 -18.95 18.3 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.519 1.799 . . . . 0.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.691 ' O ' ' CB ' ' A' ' 105' ' ' LEU . 1.8 p -150.04 2.75 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.39 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.691 ' CB ' ' O ' ' A' ' 104' ' ' THR . 4.6 mt 104.48 40.86 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.778 ' HA ' ' CE2' ' A' ' 138' ' ' PHE . 0.0 OUTLIER -50.16 -88.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.927 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.593 ' O ' ' CB ' ' A' ' 111' ' ' ALA . 18.7 ttp180 -48.26 -22.02 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.494 ' CB ' ' HB3' ' A' ' 105' ' ' LEU . 0.7 OUTLIER -65.99 -51.21 60.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 1.219 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 0.4 OUTLIER -67.93 -62.68 1.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 1.169 ' O ' ' CD2' ' A' ' 113' ' ' PHE . . . -48.07 -23.97 0.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.593 ' CB ' ' O ' ' A' ' 107' ' ' ARG . . . -72.67 -46.39 54.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 1.219 ' HG3' ' O ' ' A' ' 109' ' ' LEU . 0.6 OUTLIER -52.78 -42.78 65.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.277 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 1.169 ' CD2' ' O ' ' A' ' 110' ' ' ALA . 0.1 OUTLIER -58.48 -42.6 87.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.893 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 111.035 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.485 ' HD2' ' NE2' ' A' ' 172' ' ' HIS . 9.0 ttt180 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . 0.578 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 3.4 t-20 -65.62 -43.06 90.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . 0.59 ' C ' ' CD1' ' A' ' 113' ' ' PHE . 0.1 OUTLIER -48.42 -60.36 2.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 108.334 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.834 ' HA ' ' CZ ' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -52.08 -62.19 1.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.514 ' O ' ' CD2' ' A' ' 131' ' ' LEU . . . -49.69 -35.42 21.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.578 ' HB2' ' O ' ' A' ' 125' ' ' ASN . 0.0 OUTLIER -60.71 -23.44 64.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.901 ' HB1' ' CD2' ' A' ' 113' ' ' PHE . . . -69.65 -53.49 18.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.652 ' O ' ' CB ' ' A' ' 135' ' ' LYS . 0.0 OUTLIER -45.64 -41.12 9.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.568 ' O ' ' CG2' ' A' ' 136' ' ' THR . 36.1 t0 -61.01 -53.68 54.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.847 ' O ' ' OG1' ' A' ' 136' ' ' THR . 1.0 OUTLIER -59.06 -60.28 4.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.766 ' HA ' ' CD2' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -55.32 -33.16 30.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.283 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . 0.652 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 2.4 ttpt -77.95 -2.33 36.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.257 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' THR . . . . . 0.847 ' OG1' ' O ' ' A' ' 133' ' ' GLU . 19.2 p -113.01 -15.85 12.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.416 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . 0.635 ' C ' ' HD3' ' A' ' 139' ' ' PRO . . . -106.05 -50.37 3.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . 0.809 ' CZ ' ' CD2' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -119.97 60.47 6.77 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 0.0 110.995 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . 0.699 ' C ' ' HB2' ' A' ' 144' ' ' ASN . 18.4 Cg_endo -74.97 146.23 32.53 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.523 1.802 . . . . 0.0 111.019 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . 0.75 ' N ' ' CB ' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 161.63 -163.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 0.0 110.318 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . 0.714 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 6.7 m-20 -92.94 -104.28 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' MET . . . . . 0.608 ' HA ' ' CE2' ' A' ' 185' ' ' TYR . 0.1 OUTLIER -59.77 -31.86 70.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.108 . . . . 0.0 111.001 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . 0.5 ' O ' ' HB1' ' A' ' 147' ' ' ALA . 2.5 mm-40 -69.41 -62.69 1.28 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . 0.75 ' CB ' ' N ' ' A' ' 140' ' ' ARG . 14.0 t30 -69.14 -59.62 2.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . 0.714 ' CB ' ' O ' ' A' ' 141' ' ' ASP . 11.9 t0 -38.85 -54.83 1.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.548 ' NZ ' ' CB ' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -67.01 -30.58 70.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.58 ' N ' ' O ' ' A' ' 144' ' ' ASN . . . -64.7 -61.97 1.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' MET . . . . . 0.611 ' HG2' ' O ' ' A' ' 145' ' ' ASP . 13.1 ptp -53.19 -41.68 65.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.516 ' N ' ' HG3' ' A' ' 148' ' ' MET . 3.1 tp -61.04 -42.05 97.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . 0.553 ' O ' ' CG ' ' A' ' 153' ' ' MET . 0.3 OUTLIER -53.45 -28.57 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' MET . . . . . 0.929 ' O ' HD23 ' A' ' 155' ' ' LEU . 3.1 mmm -62.84 -52.2 64.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' THR . . . . . 1.011 ' O ' HD21 ' A' ' 155' ' ' LEU . 0.6 OUTLIER -45.67 -50.87 13.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.407 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' MET . . . . . 0.553 ' CG ' ' O ' ' A' ' 150' ' ' ILE . 23.5 ptp -69.1 -20.75 64.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.866 ' CD1' HD11 ' A' ' 155' ' ' LEU . 0.4 OUTLIER -59.71 -55.06 39.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 1.011 HD21 ' O ' ' A' ' 152' ' ' THR . 0.0 OUTLIER -50.81 -62.8 1.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . 0.651 ' O ' ' HB2' ' A' ' 161' ' ' SER . . . -52.11 -53.83 37.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.738 ' HA ' ' CB ' ' A' ' 161' ' ' SER . 11.7 mmtt -47.14 -50.05 21.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . 0.656 ' O ' ' N ' ' A' ' 163' ' ' ALA . 19.3 mmmt -75.16 -44.41 46.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' VAL . . . . . 1.078 ' O ' ' N ' ' A' ' 163' ' ' ALA . 10.5 t -69.41 -130.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . 0.659 ' H ' HG13 ' A' ' 159' ' ' VAL . . . -26.69 -62.19 0.08 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 161' ' ' SER . . . . . 0.738 ' CB ' ' HA ' ' A' ' 157' ' ' LYS . 0.3 OUTLIER -49.63 -12.56 0.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.993 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . 0.965 ' N ' ' O ' ' A' ' 159' ' ' VAL . 2.5 m-70 -152.64 -49.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.596 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . 1.078 ' N ' ' O ' ' A' ' 159' ' ' VAL . . . -111.84 95.33 28.16 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 164' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 162' ' ' HIS . 18.2 Cg_endo -75.02 50.75 2.61 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.531 1.806 . . . . 0.0 111.019 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 30.6 t -99.42 -22.69 15.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 0.0 110.012 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . 0.596 ' O ' ' HB ' ' A' ' 170' ' ' VAL . 5.6 mp -131.91 85.02 2.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.378 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . 0.772 ' CD2' HD22 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -62.46 -85.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . 0.499 ' HG2' ' N ' ' A' ' 169' ' ' ASP . 0.0 OUTLIER -53.98 -36.14 62.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . 0.499 ' N ' ' HG2' ' A' ' 168' ' ' ARG . 0.5 OUTLIER -61.38 -37.6 84.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 170' ' ' VAL . . . . . 0.618 ' CG2' ' HB ' ' A' ' 159' ' ' VAL . 1.2 t -54.96 -62.39 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . 0.848 ' O ' HG21 ' A' ' 174' ' ' THR . 0.7 OUTLIER -51.99 -44.41 64.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 111.055 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 172' ' ' HIS . . . . . 0.519 ' O ' ' CB ' ' A' ' 176' ' ' ASN . 46.5 t60 -61.05 -32.17 71.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.576 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 173' ' ' THR . . . . . 0.79 HG23 ' CD2' ' A' ' 155' ' ' LEU . 21.5 m -66.93 -48.36 68.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.434 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 174' ' ' THR . . . . . 0.848 HG21 ' O ' ' A' ' 171' ' ' PHE . 0.6 OUTLIER -65.5 -61.59 2.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.437 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 175' ' ' VAL . . . . . 0.872 HG23 ' HB ' ' A' ' 21' ' ' VAL . 2.1 t -65.77 1.51 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 176' ' ' ASN . . . . . 0.768 ' CB ' HD11 ' A' ' 127' ' ' LEU . 0.0 OUTLIER -74.43 -59.97 2.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 177' ' ' PHE . . . . . 0.862 ' CZ ' ' HB2' ' A' ' 151' ' ' MET . 2.9 m-85 -51.01 -50.15 59.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.122 . . . . 0.0 111.035 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 178' ' ' ILE . . . . . 0.612 ' HB ' ' CG2' ' A' ' 17' ' ' THR . 3.1 mp -64.84 -46.3 92.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.461 1.1 . . . . 0.0 109.271 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 179' ' ' ASN . . . . . 0.538 ' CB ' ' O ' ' A' ' 175' ' ' VAL . 1.8 t-20 -56.14 -35.95 67.72 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 180' ' ' GLN . . . . . 0.488 ' HB2' ' O ' ' A' ' 177' ' ' PHE . 7.5 mm100 -56.71 -101.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.257 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -121.08 -2.12 9.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.268 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 182' ' ' LEU . . . . . 0.525 ' CD1' ' N ' ' A' ' 182' ' ' LEU . 0.0 OUTLIER -95.83 36.35 1.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 183' ' ' PHE . . . . . 0.618 ' CE2' ' CG2' ' A' ' 16' ' ' ILE . 4.1 t80 -33.16 -35.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 111.045 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 184' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 182' ' ' LEU . 1.2 m 163.77 105.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.041 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 185' ' ' TYR . . . . . 0.608 ' CE2' ' HA ' ' A' ' 142' ' ' MET . 25.1 t80 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 111.048 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.474 HD12 ' CD1' ' A' ' 83' ' ' ILE . 6.6 tp . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.617 HG21 HG11 ' A' ' 175' ' ' VAL . 0.8 OUTLIER -53.62 -64.47 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.397 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -48.88 -36.71 17.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 23' ' ' GLY . 2.3 mm? -60.8 -30.7 70.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.691 ' CD2' ' CD2' ' A' ' 90' ' ' LEU . 0.6 OUTLIER -65.1 -43.9 90.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.783 ' HB ' ' CG2' ' A' ' 175' ' ' VAL . 0.4 OUTLIER -58.08 -63.19 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.764 ' CD2' ' HA3' ' A' ' 39' ' ' GLY . 1.2 t80 -64.45 -29.49 70.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.521 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -72.17 -38.16 59.33 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.446 1.091 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 1.013 ' CE2' ' HA ' ' A' ' 91' ' ' ALA . 1.3 t80 -55.69 -56.5 19.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 0.756 . . . . 0.0 110.997 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.797 HD21 ' CZ ' ' A' ' 171' ' ' PHE . 6.2 tp -57.02 -47.33 81.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.542 ' HG3' ' N ' ' A' ' 27' ' ' SER . 0.3 OUTLIER -55.34 -29.68 58.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.292 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.551 ' CB ' ' O ' ' A' ' 88' ' ' ARG . 8.4 t -50.89 -66.32 0.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.998 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.4 m -103.26 -40.68 6.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.995 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.626 ' N ' ' O ' ' A' ' 25' ' ' LEU . . . 87.67 89.7 1.07 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.509 1.131 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.449 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -71.55 -59.64 2.65 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.603 ' CB ' ' HB2' ' A' ' 34' ' ' GLU . 0.9 OUTLIER -145.0 121.59 11.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.407 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.54 -58.93 2.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.483 ' O ' ' CG2' ' A' ' 37' ' ' VAL . 2.6 tt0 -57.76 -24.68 58.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.603 ' HB2' ' CB ' ' A' ' 31' ' ' THR . 1.9 tt0 -69.17 -64.4 0.88 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.776 ' N ' HD22 ' A' ' 25' ' ' LEU . 0.6 OUTLIER -43.87 -40.14 4.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.475 ' O ' ' O ' ' A' ' 40' ' ' ARG . 25.4 tt0 -71.96 -43.12 65.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.272 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.689 ' CG1' HD23 ' A' ' 167' ' ' LEU . 45.9 t -70.01 -57.17 8.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.86 ' HB2' ' CD2' ' A' ' 171' ' ' PHE . 0.4 OUTLIER -66.64 -42.42 86.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.764 ' HA3' ' CD2' ' A' ' 22' ' ' PHE . . . -48.22 -55.0 10.98 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.475 ' O ' ' O ' ' A' ' 36' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.49 0.759 . . . . 0.0 110.358 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 43.8 mt . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.499 ' O ' ' CG2' ' A' ' 86' ' ' ILE . 23.8 pt -53.46 -50.03 51.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.444 ' O ' ' HB1' ' A' ' 87' ' ' ALA . 63.1 m80 -61.99 -40.33 95.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.58 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -55.25 -50.53 69.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.572 HG21 ' N ' ' A' ' 87' ' ' ALA . 7.7 tp -58.8 -33.6 49.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.58 ' O ' ' HB2' ' A' ' 90' ' ' LEU . . . -56.45 -52.91 62.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.551 ' O ' ' CB ' ' A' ' 27' ' ' SER . 2.2 mtp180 -65.79 -52.01 54.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.333 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.591 ' CE1' ' CG2' ' A' ' 93' ' ' ILE . 13.3 t-80 -50.4 -19.73 0.92 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.112 . . . . 0.0 109.635 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.691 ' CD2' ' CD2' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -56.13 -64.66 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 1.013 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . . . -57.85 -49.14 77.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.4 -47.15 37.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.61 ' O ' ' HB3' ' A' ' 97' ' ' MET . 3.0 pt -68.94 -22.83 26.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.564 ' O ' ' HG2' ' A' ' 97' ' ' MET . . . -58.95 -54.77 35.25 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.441 1.088 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -64.26 -43.41 94.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.435 ' O ' ' CB ' ' A' ' 99' ' ' HIS . 0.5 OUTLIER -63.56 -39.18 93.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.303 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.61 ' HB3' ' O ' ' A' ' 93' ' ' ILE . 2.4 ptm -51.84 -42.24 62.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 111.033 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.522 ' N ' ' HG2' ' A' ' 97' ' ' MET . 1.4 p-10 -52.4 -20.65 2.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.472 ' N ' ' OD1' ' A' ' 98' ' ' ASP . 21.8 t-80 -58.96 -53.69 55.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.614 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 23.3 p-10 -147.14 87.87 1.7 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.574 ' CG2' ' O ' ' A' ' 101' ' ' ILE . 0.2 OUTLIER -139.79 97.3 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.961 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 0.9 OUTLIER 161.07 48.13 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.266 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.961 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.2 Cg_endo -75.0 -22.51 14.73 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.527 1.804 . . . . 0.0 111.02 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.81 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 10.9 p -146.85 1.47 0.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.417 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.81 ' HB2' ' O ' ' A' ' 104' ' ' THR . 0.0 OUTLIER 106.5 44.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 1.017 ' HA ' ' CZ ' ' A' ' 138' ' ' PHE . 0.0 OUTLIER -54.96 -85.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.65 ' O ' ' CB ' ' A' ' 111' ' ' ALA . 28.3 ttp85 -53.32 -14.2 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.305 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.524 ' O ' ' HB1' ' A' ' 111' ' ' ALA . 0.1 OUTLIER -64.97 -58.42 6.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 110.298 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 1.263 ' O ' ' CG ' ' A' ' 112' ' ' GLN . 3.3 pp -66.78 -54.77 19.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 1.023 ' HA ' ' HB3' ' A' ' 130' ' ' ALA . . . -54.12 -20.52 6.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.247 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.65 ' CB ' ' O ' ' A' ' 107' ' ' ARG . . . -76.47 -41.26 47.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 1.263 ' CG ' ' O ' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -46.18 -58.78 3.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.354 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.843 ' CZ ' ' CD1' ' A' ' 155' ' ' LEU . 0.7 OUTLIER -63.16 -40.04 96.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.668 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 11.4 tmm? . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.996 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.707 ' O ' HD13 ' A' ' 127' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . 0.603 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 29.2 t-20 -67.34 -41.23 85.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . 0.639 ' O ' ' CG ' ' A' ' 113' ' ' PHE . 32.1 p -53.87 -55.74 24.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 108.301 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.795 ' HA ' ' CE1' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -52.82 -72.53 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.483 ' O ' ' CD2' ' A' ' 131' ' ' LEU . . . -47.87 -26.78 1.81 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.617 ' HB2' ' O ' ' A' ' 126' ' ' CYS . 0.2 OUTLIER -59.73 -31.6 69.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.138 . . . . 0.0 109.319 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 1.023 ' HB3' ' HA ' ' A' ' 110' ' ' ALA . . . -72.38 -46.74 54.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.568 ' O ' ' CB ' ' A' ' 135' ' ' LYS . 0.0 OUTLIER -40.28 -46.73 2.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.71 ' O ' ' HB ' ' A' ' 136' ' ' THR . 1.1 t70 -66.72 -51.31 57.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 109.267 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.479 ' OE1' ' CA ' ' A' ' 133' ' ' GLU . 0.3 OUTLIER -53.78 -62.92 1.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.266 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.922 ' HA ' HD23 ' A' ' 109' ' ' LEU . 0.1 OUTLIER -55.66 -38.67 51.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . 0.568 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 0.6 OUTLIER -78.56 8.83 4.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' THR . . . . . 0.71 ' HB ' ' O ' ' A' ' 132' ' ' ASP . 0.6 OUTLIER -116.51 -18.59 10.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.396 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . 0.718 ' C ' ' HD3' ' A' ' 139' ' ' PRO . . . -109.48 -50.59 2.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . 1.017 ' CZ ' ' HA ' ' A' ' 106' ' ' VAL . 0.0 OUTLIER -118.44 55.93 2.5 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 111.053 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . 0.799 ' C ' ' HB2' ' A' ' 144' ' ' ASN . 18.4 Cg_endo -74.99 163.78 34.68 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.489 1.784 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . 0.747 ' N ' ' CB ' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 156.87 -170.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.28 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . 0.641 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 40.9 m-20 -85.4 -103.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' MET . . . . . 0.426 ' CB ' ' OH ' ' A' ' 185' ' ' TYR . 21.5 mtp -67.45 -32.12 72.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.55 -61.78 1.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.331 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . 0.799 ' HB2' ' C ' ' A' ' 139' ' ' PRO . 1.3 t30 -66.33 -54.68 21.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . 0.641 ' CB ' ' O ' ' A' ' 141' ' ' ASP . 31.0 m-20 -38.62 -54.29 1.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.095 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.78 -34.28 77.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.569 ' N ' ' O ' ' A' ' 144' ' ' ASN . . . -60.15 -58.28 9.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' MET . . . . . 0.632 ' O ' ' HG3' ' A' ' 151' ' ' MET . 4.2 mtm -48.56 -53.1 19.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 111.019 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.523 ' CD2' HD22 ' A' ' 90' ' ' LEU . 0.2 OUTLIER -55.15 -43.38 74.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . 0.592 ' O ' ' CG ' ' A' ' 153' ' ' MET . 1.6 tt -48.78 -31.05 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' MET . . . . . 1.059 ' O ' ' CD2' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -65.02 -56.51 12.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' THR . . . . . 0.794 ' HB ' ' O ' ' A' ' 173' ' ' THR . 65.6 p -41.47 -51.55 3.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.357 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' MET . . . . . 0.592 ' CG ' ' O ' ' A' ' 150' ' ' ILE . 14.5 ptp -66.71 -26.58 67.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.685 ' C ' ' CD2' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -61.4 -51.68 67.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 1.059 ' CD2' ' O ' ' A' ' 151' ' ' MET . 0.0 OUTLIER -51.75 -52.29 49.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . 0.67 ' O ' ' N ' ' A' ' 160' ' ' ALA . . . -60.82 -54.57 43.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.457 ' O ' ' NZ ' ' A' ' 157' ' ' LYS . 0.0 OUTLIER -45.03 -51.57 9.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . 0.86 ' O ' ' N ' ' A' ' 162' ' ' HIS . 29.4 mmmt -74.74 -54.29 7.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' VAL . . . . . 0.657 ' HA ' ' H ' ' A' ' 163' ' ' ALA . 42.2 t -51.97 -56.85 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.352 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . 0.67 ' N ' ' O ' ' A' ' 156' ' ' ALA . . . -33.58 -35.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.353 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 161' ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' ' 159' ' ' VAL . 0.4 OUTLIER -117.97 -13.25 10.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.014 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . 0.86 ' N ' ' O ' ' A' ' 158' ' ' LYS . 2.7 t60 -95.06 -52.21 4.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.605 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . 0.657 ' H ' ' HA ' ' A' ' 159' ' ' VAL . . . -124.95 69.06 57.13 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 164' ' ' PRO . . . . . 0.475 ' HD3' ' C ' ' A' ' 162' ' ' HIS . 18.2 Cg_endo -75.03 3.68 5.42 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.456 1.766 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 89.9 p -95.64 3.07 54.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.019 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -141.8 52.26 1.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . 0.77 ' C ' HD23 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -52.11 -26.67 11.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . 0.697 ' N ' HD11 ' A' ' 167' ' ' LEU . 0.0 OUTLIER -62.67 -55.83 23.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . 0.705 ' O ' ' OG1' ' A' ' 173' ' ' THR . 1.4 t70 -56.29 -36.57 68.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 170' ' ' VAL . . . . . 0.556 ' CG2' ' CG1' ' A' ' 159' ' ' VAL . 0.9 OUTLIER -50.29 -63.96 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . 0.86 ' CD2' ' HB2' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -56.6 -46.54 80.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 172' ' ' HIS . . . . . 0.556 ' O ' ' CB ' ' A' ' 176' ' ' ASN . 1.8 t60 -51.66 -42.83 62.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.604 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 173' ' ' THR . . . . . 0.958 ' CG2' ' HG ' ' A' ' 155' ' ' LEU . 1.3 m -53.91 -52.06 61.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.388 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 174' ' ' THR . . . . . 0.776 ' HA ' ' HB ' ' A' ' 152' ' ' THR . 13.5 p -56.31 -66.27 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.367 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 175' ' ' VAL . . . . . 0.783 ' CG2' ' HB ' ' A' ' 21' ' ' VAL . 4.0 t -74.94 14.84 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 176' ' ' ASN . . . . . 0.743 ' HB3' ' O ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -78.65 -56.7 4.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 177' ' ' PHE . . . . . 1.051 ' O ' ' N ' ' A' ' 181' ' ' ASN . 8.3 m-30 -69.09 -62.49 1.36 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 178' ' ' ILE . . . . . 0.597 ' CD1' ' N ' ' A' ' 179' ' ' ASN . 0.0 OUTLIER -48.61 -25.79 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.14 . . . . 0.0 109.327 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 179' ' ' ASN . . . . . 0.619 ' HB2' ' O ' ' A' ' 175' ' ' VAL . 0.7 OUTLIER -65.73 -55.95 14.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -111.49 -10.26 14.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 1.051 ' N ' ' O ' ' A' ' 177' ' ' PHE . 60.9 t30 -97.76 -85.16 0.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 182' ' ' LEU . . . . . 0.513 ' N ' ' HA ' ' A' ' 178' ' ' ILE . 0.2 OUTLIER -87.37 66.8 9.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 183' ' ' PHE . . . . . 0.513 ' HA ' ' O ' ' A' ' 178' ' ' ILE . 7.6 t80 -51.42 -16.55 0.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 111.035 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 173.43 39.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.017 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 185' ' ' TYR . . . . . 0.558 ' O ' ' CD1' ' A' ' 185' ' ' TYR . 1.5 t80 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.962 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.589 ' HB ' ' CE2' ' A' ' 183' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.604 ' CG2' HG11 ' A' ' 175' ' ' VAL . 89.4 m -53.88 -58.27 7.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.416 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -47.76 -36.82 12.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.58 ' HG ' ' CD2' ' A' ' 84' ' ' HIS . 1.1 mm? -62.22 -32.47 73.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.646 ' CD2' ' CD2' ' A' ' 90' ' ' LEU . 1.5 tm? -63.47 -40.4 97.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.805 ' HB ' ' CG2' ' A' ' 175' ' ' VAL . 0.5 OUTLIER -62.01 -64.83 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.254 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.748 ' CD2' ' HA3' ' A' ' 39' ' ' GLY . 0.4 OUTLIER -63.03 -30.56 71.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 111.046 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -72.28 -40.19 55.97 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.522 1.139 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.97 ' CE2' ' HA ' ' A' ' 91' ' ' ALA . 1.4 t80 -55.05 -58.15 8.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 0.756 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.819 ' HB2' ' CZ ' ' A' ' 171' ' ' PHE . 5.6 tp -55.15 -43.56 74.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.431 ' N ' HD11 ' A' ' 35' ' ' LEU . 5.3 tm0? -58.89 -31.73 68.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.526 ' OG ' ' O ' ' A' ' 88' ' ' ARG . 1.5 t -47.02 -66.07 0.47 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.153 . . . . 0.0 109.962 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.38 -43.9 5.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.147 . . . . 0.0 109.935 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.571 ' N ' ' O ' ' A' ' 25' ' ' LEU . . . 94.65 85.07 1.65 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.476 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 3.4 t -66.84 -61.03 2.16 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.524 ' HB ' ' HB2' ' A' ' 34' ' ' GLU . 1.0 OUTLIER -144.1 123.77 13.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.428 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.7 ttt-85 -45.1 -52.58 8.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.281 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -64.03 -26.51 68.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.349 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.629 ' O ' ' N ' ' A' ' 38' ' ' LEU . 44.5 tt0 -68.63 -63.31 1.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.328 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.789 ' HA ' HD21 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -47.29 -36.69 9.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.537 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 5.3 tt0 -70.51 -55.07 9.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.598 HG11 ' HA ' ' A' ' 34' ' ' GLU . 3.4 p -66.2 -52.39 48.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 1.17 ' HB3' ' CD2' ' A' ' 171' ' ' PHE . 0.1 OUTLIER -65.86 -47.0 76.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.254 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.748 ' HA3' ' CD2' ' A' ' 22' ' ' PHE . . . -62.53 -53.13 43.92 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.537 ' CB ' ' O ' ' A' ' 36' ' ' GLU . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.474 0.749 . . . . 0.0 110.271 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.7 mt . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.4 mt -53.7 -50.38 51.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.58 ' CD2' ' HG ' ' A' ' 19' ' ' LEU . 46.5 m80 -61.25 -43.87 98.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.585 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.471 ' O ' ' CG ' ' A' ' 88' ' ' ARG . 0.3 OUTLIER -53.28 -48.77 68.03 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.452 HG21 ' N ' ' A' ' 87' ' ' ALA . 1.4 tp -62.41 -31.12 50.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.658 ' O ' ' HB2' ' A' ' 90' ' ' LEU . . . -54.9 -57.82 10.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.526 ' O ' ' OG ' ' A' ' 27' ' ' SER . 1.7 ptt85 -63.06 -39.26 94.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.252 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.558 ' O ' ' CG2' ' A' ' 93' ' ' ILE . 47.4 t-80 -50.98 -26.49 6.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.606 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.658 ' HB2' ' O ' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -52.44 -66.26 0.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 109.257 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.97 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . . . -50.81 -45.52 59.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.646 ' HG3' ' N ' ' A' ' 93' ' ' ILE . 0.1 OUTLIER -51.19 -35.43 36.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.646 ' N ' ' HG3' ' A' ' 92' ' ' GLN . 0.5 OUTLIER -70.09 -30.28 43.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.575 ' CA ' ' HG3' ' A' ' 153' ' ' MET . . . -57.83 -51.41 58.29 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.49 1.119 . . . . 0.0 110.973 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -63.17 -51.46 66.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 0.758 . . . . 0.0 109.256 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.427 ' O ' ' CB ' ' A' ' 99' ' ' HIS . 2.4 mt-10 -62.71 -42.72 99.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.264 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.598 ' HB2' ' O ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -51.99 -55.45 20.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.989 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 97' ' ' MET . 11.7 t0 -38.57 -30.65 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.466 ' N ' ' C ' ' A' ' 97' ' ' MET . 17.5 t-80 -55.03 -52.97 61.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.575 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 97' ' ' MET . 22.2 p-10 -149.65 88.73 1.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.569 ' CG2' ' O ' ' A' ' 101' ' ' ILE . 0.3 OUTLIER -134.8 92.33 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.239 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.876 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 0.0 OUTLIER 154.05 52.19 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.876 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.3 Cg_endo -75.03 34.5 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.51 1.795 . . . . 0.0 110.989 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.927 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 1.0 OUTLIER 149.08 2.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.381 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.927 ' HB2' ' O ' ' A' ' 104' ' ' THR . 0.1 OUTLIER 103.67 38.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.989 ' HA ' ' CZ ' ' A' ' 138' ' ' PHE . 1.3 t -61.52 -80.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.626 ' N ' ' CG1' ' A' ' 106' ' ' VAL . 9.4 ptt85 -52.59 -19.61 2.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.313 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.587 ' CB ' ' HG ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -66.35 -41.62 89.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.953 HD22 ' CZ ' ' A' ' 138' ' ' PHE . 0.2 OUTLIER -60.84 -61.18 2.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.152 . . . . 0.0 109.3 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 1.179 ' O ' ' CD2' ' A' ' 113' ' ' PHE . . . -48.77 -54.28 15.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.25 -17.13 57.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.244 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.839 ' CG ' ' O ' ' A' ' 109' ' ' LEU . 2.1 pt20 -60.45 -45.7 92.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 110.241 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 1.179 ' CD2' ' O ' ' A' ' 110' ' ' ALA . 2.8 p90 -63.27 -41.95 99.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.876 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 1.9 ttp . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.113 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.458 ' HD3' ' NE2' ' A' ' 172' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . 0.561 ' O ' ' CB ' ' A' ' 129' ' ' LYS . 1.9 t-20 -61.89 -37.87 86.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . 0.592 ' HB3' ' CD1' ' A' ' 113' ' ' PHE . 0.1 OUTLIER -51.97 -53.77 37.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 108.287 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.708 ' O ' ' HE1' ' A' ' 177' ' ' PHE . 0.1 OUTLIER -60.94 -69.71 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.415 ' O ' ' HG ' ' A' ' 131' ' ' LEU . . . -44.58 -32.84 1.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.561 ' CB ' ' O ' ' A' ' 125' ' ' ASN . 0.3 OUTLIER -61.93 -27.95 69.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.766 ' HB3' ' CD2' ' A' ' 113' ' ' PHE . . . -69.46 -49.46 54.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.746 ' N ' ' CZ ' ' A' ' 177' ' ' PHE . 0.4 OUTLIER -44.75 -43.43 8.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.563 ' O ' ' HB ' ' A' ' 136' ' ' THR . 0.1 OUTLIER -63.36 -53.47 52.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.592 ' CB ' HD12 ' A' ' 109' ' ' LEU . 7.2 mm-40 -56.95 -61.73 2.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 110.318 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.938 ' HA ' HD22 ' A' ' 109' ' ' LEU . 0.3 OUTLIER -53.1 -37.13 26.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.142 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . 0.561 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 0.1 OUTLIER -78.63 4.67 12.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' THR . . . . . 0.563 ' HB ' ' O ' ' A' ' 132' ' ' ASP . 0.6 OUTLIER -117.18 -20.44 9.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.406 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . 0.707 ' C ' ' HD3' ' A' ' 139' ' ' PRO . . . -99.92 -52.48 3.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . 0.989 ' CZ ' ' HA ' ' A' ' 106' ' ' VAL . 0.0 OUTLIER -116.26 60.79 2.04 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . 0.707 ' HD3' ' C ' ' A' ' 137' ' ' ALA . 18.3 Cg_endo -75.02 149.86 37.24 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.498 1.788 . . . . 0.0 111.003 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . 0.787 ' N ' ' CB ' ' A' ' 144' ' ' ASN . 1.5 mtt85 164.51 -166.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 110.318 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . 0.666 ' O ' ' CG ' ' A' ' 145' ' ' ASP . 31.8 m-20 -87.22 -110.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' MET . . . . . 0.488 ' O ' ' HB2' ' A' ' 146' ' ' LYS . 0.3 OUTLIER -61.78 -31.97 72.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 111.011 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . 0.491 ' O ' ' HB1' ' A' ' 147' ' ' ALA . 0.8 OUTLIER -66.14 -61.27 2.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.268 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . 0.787 ' CB ' ' N ' ' A' ' 140' ' ' ARG . 1.9 t-20 -69.82 -56.89 5.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . 0.697 ' HA ' ' CE2' ' A' ' 185' ' ' TYR . 26.4 m-20 -37.7 -57.81 0.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 142' ' ' MET . 0.0 OUTLIER -65.08 -28.38 69.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.627 ' N ' ' O ' ' A' ' 144' ' ' ASN . . . -60.44 -58.67 7.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.24 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' MET . . . . . 0.784 ' HG3' ' N ' ' A' ' 149' ' ' LEU . 0.1 OUTLIER -52.84 -43.55 66.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.784 ' N ' ' HG3' ' A' ' 148' ' ' MET . 3.8 mt -57.02 -40.82 77.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . 0.487 HG12 ' CD1' ' A' ' 93' ' ' ILE . 14.3 mt -56.71 -28.42 27.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' MET . . . . . 1.098 ' O ' ' HG ' ' A' ' 154' ' ' LEU . 3.7 mmm -62.47 -58.0 9.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' THR . . . . . 0.868 ' OG1' ' O ' ' A' ' 173' ' ' THR . 5.3 t -51.94 -41.45 62.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.398 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' MET . . . . . 0.584 ' SD ' ' C ' ' A' ' 153' ' ' MET . 6.3 tmm? -68.81 -28.25 66.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 111.018 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 1.098 ' HG ' ' O ' ' A' ' 151' ' ' MET . 2.2 pp -53.46 -55.58 24.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.729 ' O ' ' CG2' ' A' ' 159' ' ' VAL . 4.7 mp -50.5 -60.27 3.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . 0.464 ' O ' ' HB2' ' A' ' 161' ' ' SER . . . -56.31 -54.68 42.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.791 ' HA ' ' CB ' ' A' ' 161' ' ' SER . 1.0 OUTLIER -44.76 -43.94 8.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . 0.716 ' O ' ' N ' ' A' ' 163' ' ' ALA . 0.4 OUTLIER -79.08 -39.59 33.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 159' ' ' VAL . . . . . 1.09 ' O ' ' N ' ' A' ' 163' ' ' ALA . 19.6 t -71.5 -126.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . 0.607 ' H ' HG11 ' A' ' 159' ' ' VAL . . . -31.48 -55.97 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 161' ' ' SER . . . . . 0.791 ' CB ' ' HA ' ' A' ' 157' ' ' LYS . 0.6 OUTLIER -55.95 -11.44 1.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 110.009 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . 0.909 ' N ' ' O ' ' A' ' 159' ' ' VAL . 0.0 OUTLIER -152.83 -51.81 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.624 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . 1.09 ' N ' ' O ' ' A' ' 159' ' ' VAL . . . -114.99 87.98 16.27 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.355 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 164' ' ' PRO . . . . . 0.466 ' HA ' ' HA ' ' A' ' 160' ' ' ALA . 18.3 Cg_endo -75.02 63.38 6.01 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.508 1.794 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 17.4 t -125.3 0.47 7.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.008 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . 0.598 ' O ' ' N ' ' A' ' 170' ' ' VAL . 3.8 mp -143.69 58.34 1.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . 0.876 ' O ' HD13 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -54.86 -51.88 64.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . 0.838 ' N ' HD23 ' A' ' 167' ' ' LEU . 0.4 OUTLIER -58.48 -50.28 74.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . 0.674 ' O ' ' OG1' ' A' ' 173' ' ' THR . 0.8 OUTLIER -66.47 -34.29 77.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 109.289 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 170' ' ' VAL . . . . . 0.598 ' N ' ' O ' ' A' ' 166' ' ' LEU . 1.0 OUTLIER -49.94 -68.51 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . 1.17 ' CD2' ' HB3' ' A' ' 38' ' ' LEU . 1.6 m-85 -59.87 -49.59 77.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 172' ' ' HIS . . . . . 0.458 ' NE2' ' HD3' ' A' ' 124' ' ' ARG . 42.1 t60 -50.4 -33.68 21.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.553 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 173' ' ' THR . . . . . 0.897 ' O ' ' HB3' ' A' ' 176' ' ' ASN . 89.0 m -66.18 -61.02 2.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.382 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 174' ' ' THR . . . . . 0.686 ' HA ' ' CG2' ' A' ' 152' ' ' THR . 17.0 p -47.57 -59.74 3.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.438 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 175' ' ' VAL . . . . . 0.805 ' CG2' ' HB ' ' A' ' 21' ' ' VAL . 3.0 t -76.74 12.6 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 176' ' ' ASN . . . . . 0.897 ' HB3' ' O ' ' A' ' 173' ' ' THR . 0.1 OUTLIER -80.22 -52.03 8.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 177' ' ' PHE . . . . . 0.746 ' CZ ' ' N ' ' A' ' 131' ' ' LEU . 1.8 m-30 -61.68 -52.61 63.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 178' ' ' ILE . . . . . 0.573 HG13 HG21 ' A' ' 17' ' ' THR . 0.0 OUTLIER -62.5 -43.01 97.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 179' ' ' ASN . . . . . 0.652 ' CB ' ' O ' ' A' ' 175' ' ' VAL . 1.3 t30 -54.98 -39.42 68.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 180' ' ' GLN . . . . . 0.462 ' O ' ' O ' ' A' ' 179' ' ' ASN . 20.4 tp60 -49.55 -103.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 110.317 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.449 ' N ' ' HG3' ' A' ' 180' ' ' GLN . 8.9 t30 -126.02 -4.04 6.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 182' ' ' LEU . . . . . 0.527 ' O ' ' N ' ' A' ' 184' ' ' SER . 0.2 OUTLIER -97.03 39.97 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 183' ' ' PHE . . . . . 0.589 ' CE2' ' HB ' ' A' ' 16' ' ' ILE . 0.7 OUTLIER -28.99 -39.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 0.0 111.008 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 184' ' ' SER . . . . . 0.527 ' N ' ' O ' ' A' ' 182' ' ' LEU . 23.1 t -170.95 108.14 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.031 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 185' ' ' TYR . . . . . 0.697 ' CE2' ' HA ' ' A' ' 145' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.97 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.555 ' CD1' ' CE1' ' A' ' 84' ' ' HIS . 3.3 mm . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.56 ' CG2' HG11 ' A' ' 175' ' ' VAL . 28.6 m -54.97 -62.67 1.51 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.4 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.42 -37.45 37.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 1.1 mm? -59.44 -32.52 70.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.648 ' CD2' ' CD2' ' A' ' 90' ' ' LEU . 1.2 tm? -63.55 -45.63 89.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.878 ' CG2' ' O ' ' A' ' 171' ' ' PHE . 0.4 OUTLIER -63.28 -61.38 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.78 ' CE1' HD23 ' A' ' 35' ' ' LEU . 6.2 t80 -58.07 -36.14 72.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 111.022 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -75.93 -34.08 48.78 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.504 1.127 . . . . 0.0 111.031 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 1.043 ' CE2' ' HA ' ' A' ' 91' ' ' ALA . 2.0 t80 -53.83 -58.47 7.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 0.782 . . . . 0.0 111.031 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.789 ' HB2' ' CZ ' ' A' ' 171' ' ' PHE . 0.4 OUTLIER -56.68 -44.05 81.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -53.75 -32.51 52.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.272 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.546 ' HB2' ' CG ' ' A' ' 88' ' ' ARG . 29.0 t -66.71 -96.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.983 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.2 t -140.86 17.56 2.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.987 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.537 ' HA3' ' CE1' ' A' ' 24' ' ' PHE . . . -55.25 -108.54 0.01 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.479 1.112 . . . . 0.0 111.049 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.41 ' HA ' ' OG ' ' A' ' 161' ' ' SER . 43.1 t -86.84 -89.69 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.226 -1.028 . . . . 0.0 108.226 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 34' ' ' GLU . 0.4 OUTLIER -144.42 149.13 35.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.425 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.619 ' O ' HD11 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -43.11 -58.74 2.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.306 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.432 ' O ' ' HB ' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -55.61 -25.58 39.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.648 ' C ' HD22 ' A' ' 25' ' ' LEU . 1.8 tp10 -65.7 -57.01 9.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.78 HD23 ' CE1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -42.78 -39.95 2.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.618 ' HA ' ' CE1' ' A' ' 22' ' ' PHE . 39.6 tt0 -80.65 -31.42 36.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.234 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.647 ' CG1' ' N ' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -65.68 -59.32 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 1.001 ' HB2' ' CD2' ' A' ' 171' ' ' PHE . 37.6 mt -62.9 -46.08 89.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.09 . . . . 0.0 109.253 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.712 ' HA3' ' CE1' ' A' ' 22' ' ' PHE . . . -48.12 -42.33 23.76 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.489 1.118 . . . . 0.0 110.956 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.521 0.777 . . . . 0.0 110.341 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 8.7 mt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.485 ' CG2' HG23 ' A' ' 16' ' ' ILE . 32.3 mm -54.12 -57.87 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.555 ' CE1' ' CD1' ' A' ' 16' ' ' ILE . 89.5 m-70 -54.88 -37.69 66.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.604 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -53.31 -45.39 68.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.436 HG21 ' N ' ' A' ' 87' ' ' ALA . 1.3 tp -61.41 -42.61 94.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.249 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.54 ' O ' ' HB2' ' A' ' 90' ' ' LEU . . . -54.17 -42.34 69.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.546 ' CG ' ' HB2' ' A' ' 27' ' ' SER . 20.4 ttt180 -64.84 -54.12 35.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.436 ' CE1' HD13 ' A' ' 93' ' ' ILE . 17.6 t60 -57.92 -15.31 8.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.561 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.648 ' CD2' ' CD2' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -61.67 -67.7 0.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 1.043 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . . . -52.37 -48.94 65.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -50.47 -35.94 31.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.239 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.564 ' CG2' ' O ' ' A' ' 90' ' ' LEU . 0.1 OUTLIER -68.93 -29.73 44.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.507 ' N ' HG21 ' A' ' 93' ' ' ILE . . . -59.58 -55.39 30.82 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.463 1.102 . . . . 0.0 111.027 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.46 ' HA ' ' CE ' ' A' ' 157' ' ' LYS . 63.3 t0 -60.92 -43.19 98.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 0.752 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -39.06 92.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.632 ' CG ' ' N ' ' A' ' 98' ' ' ASP . 0.1 OUTLIER -51.02 -50.72 58.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.958 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.632 ' N ' ' CG ' ' A' ' 97' ' ' MET . 0.4 OUTLIER -38.23 -29.72 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.489 ' N ' ' O ' ' A' ' 97' ' ' MET . 66.2 t60 -42.83 -69.26 0.14 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.583 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -148.96 90.37 1.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.544 ' O ' ' CB ' ' A' ' 102' ' ' GLN . 7.3 mm -131.64 89.93 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.577 1.173 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.774 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 0.0 OUTLIER 157.34 54.96 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.285 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.774 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.3 Cg_endo -75.03 -19.73 17.48 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.499 1.789 . . . . 0.0 111.015 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.704 ' O ' ' CB ' ' A' ' 105' ' ' LEU . 8.8 t -147.32 6.85 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 110.349 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.704 ' CB ' ' O ' ' A' ' 104' ' ' THR . 12.1 tp 106.55 29.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.683 ' CG2' ' CD2' ' A' ' 138' ' ' PHE . 1.0 OUTLIER -59.14 -72.14 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.543 ' HB3' ' CG2' ' A' ' 101' ' ' ILE . 0.0 OUTLIER -52.73 -37.31 59.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 110.316 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.55 ' CB ' ' CD1' ' A' ' 105' ' ' LEU . 4.0 mm-40 -64.53 -27.22 68.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.318 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.983 ' O ' ' CD ' ' A' ' 112' ' ' GLN . 0.7 OUTLIER -64.24 -73.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 1.007 ' O ' ' CD2' ' A' ' 113' ' ' PHE . . . -54.78 -39.33 68.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 107' ' ' ARG . . . -63.37 -22.06 66.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.983 ' CD ' ' O ' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -57.32 -50.25 73.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 110.265 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 1.007 ' CD2' ' O ' ' A' ' 110' ' ' ALA . 1.8 p90 -66.53 -42.75 86.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.157 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.778 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 8.9 tmm? . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.52 ' HA ' ' CD1' ' A' ' 127' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . 0.413 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 3.8 t-20 -68.26 -39.42 82.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . 0.448 ' CB ' ' CD1' ' A' ' 113' ' ' PHE . 3.1 m -54.74 -57.01 13.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 108.309 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.882 ' HA ' ' CZ ' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -53.37 -65.18 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.338 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.456 ' CA ' ' OD1' ' A' ' 176' ' ' ASN . . . -46.13 -39.32 9.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.526 ' O ' ' CD ' ' A' ' 133' ' ' GLU . 7.3 mttt -65.38 -23.71 67.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.347 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.93 ' HB1' ' CD2' ' A' ' 113' ' ' PHE . . . -71.22 -38.83 71.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.347 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.772 ' O ' ' HB3' ' A' ' 135' ' ' LYS . 0.0 OUTLIER -55.59 -41.97 74.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.517 ' O ' ' CB ' ' A' ' 136' ' ' THR . 1.5 m-20 -61.67 -61.73 2.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.663 ' CG ' ' HA ' ' A' ' 130' ' ' ALA . 0.5 OUTLIER -52.8 -60.37 3.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.27 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.69 HG21 ' CE2' ' A' ' 138' ' ' PHE . 11.5 p -55.04 -42.52 65.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . 0.772 ' HB3' ' O ' ' A' ' 131' ' ' LEU . 0.2 OUTLIER -87.29 25.14 1.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' THR . . . . . 0.517 ' CB ' ' O ' ' A' ' 132' ' ' ASP . 1.9 t -160.78 24.71 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.386 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . 0.537 ' C ' ' HD3' ' A' ' 139' ' ' PRO . . . -134.09 -56.0 0.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . 0.7 ' N ' ' HD3' ' A' ' 139' ' ' PRO . 2.1 p90 -130.63 47.19 2.67 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.981 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . 0.7 ' HD3' ' N ' ' A' ' 138' ' ' PHE . 18.2 Cg_endo -75.02 170.05 21.28 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.533 1.807 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . 0.781 ' HB2' ' CG ' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 175.6 -97.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.304 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . 0.584 ' O ' ' N ' ' A' ' 145' ' ' ASP . 1.1 m-20 -135.75 -145.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' MET . . . . . 0.646 ' O ' ' CB ' ' A' ' 146' ' ' LYS . 1.7 tmt? -51.71 -31.47 26.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 111.035 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -67.91 -62.95 1.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . 0.781 ' CG ' ' HB2' ' A' ' 140' ' ' ARG . 1.0 OUTLIER -73.96 -57.7 3.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.274 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . 0.631 ' CG ' ' CE1' ' A' ' 185' ' ' TYR . 9.4 t0 -40.24 -54.83 2.29 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.646 ' CB ' ' O ' ' A' ' 142' ' ' MET . 0.6 OUTLIER -53.89 -28.87 39.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.66 ' CB ' ' O ' ' A' ' 144' ' ' ASN . . . -53.27 -52.24 59.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' MET . . . . . 0.646 ' HG2' ' HB2' ' A' ' 135' ' ' LYS . 1.4 mtp -53.37 -54.19 40.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.538 ' O ' ' SD ' ' A' ' 153' ' ' MET . 3.5 tp -57.99 -45.07 87.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . 0.519 HG13 ' SD ' ' A' ' 97' ' ' MET . 0.7 OUTLIER -54.6 -29.07 20.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' MET . . . . . 0.841 ' O ' HD23 ' A' ' 155' ' ' LEU . 1.9 mmt -58.51 -52.62 64.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 111.049 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' THR . . . . . 0.929 ' O ' HD21 ' A' ' 155' ' ' LEU . 0.5 OUTLIER -46.1 -47.2 17.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.394 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' MET . . . . . 0.611 ' O ' ' CB ' ' A' ' 157' ' ' LYS . 1.8 mpt? -71.13 -20.42 62.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.849 ' CD1' HD11 ' A' ' 155' ' ' LEU . 0.5 OUTLIER -61.57 -52.72 63.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.362 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.929 HD21 ' O ' ' A' ' 152' ' ' THR . 0.0 OUTLIER -54.04 -55.47 27.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . 1.057 ' O ' ' O ' ' A' ' 159' ' ' VAL . . . -64.17 -52.74 57.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.611 ' CB ' ' O ' ' A' ' 153' ' ' MET . 39.3 tptt -45.43 -50.85 12.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . 0.894 ' O ' ' N ' ' A' ' 163' ' ' ALA . 51.6 mmtt -77.49 -52.21 9.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 159' ' ' VAL . . . . . 1.057 ' O ' ' O ' ' A' ' 156' ' ' ALA . 23.0 t -91.19 152.06 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . 0.655 ' CB ' ' CG1' ' A' ' 170' ' ' VAL . . . 69.08 -49.46 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 161' ' ' SER . . . . . 0.471 ' H ' ' C ' ' A' ' 159' ' ' VAL . 0.1 OUTLIER -91.35 -9.38 45.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.043 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . 0.578 ' CB ' ' O ' ' A' ' 158' ' ' LYS . 0.5 OUTLIER -152.62 -36.83 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.57 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . 0.894 ' N ' ' O ' ' A' ' 158' ' ' LYS . . . -117.13 96.86 49.95 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 55.81 4.03 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.494 1.786 . . . . 0.0 111.026 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 165' ' ' SER . . . . . 0.41 ' OG ' HD11 ' A' ' 166' ' ' LEU . 7.3 p -109.42 -14.48 14.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.96 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . 0.442 ' CD1' HG13 ' A' ' 159' ' ' VAL . 3.5 mp -143.43 132.93 23.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . 0.579 ' CD2' HD22 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -100.36 -91.22 0.31 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . 0.427 ' H ' ' HB3' ' A' ' 167' ' ' LEU . 18.6 ptt180 -56.63 -34.84 67.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.281 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.91 -45.78 93.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 170' ' ' VAL . . . . . 0.883 HG11 ' N ' ' A' ' 171' ' ' PHE . 0.4 OUTLIER -56.25 -49.54 75.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . 1.141 ' O ' HG21 ' A' ' 174' ' ' THR . 0.0 OUTLIER -62.2 -54.53 39.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 0.0 111.025 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 172' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -57.17 -22.62 41.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.656 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 173' ' ' THR . . . . . 0.831 ' O ' ' HB3' ' A' ' 176' ' ' ASN . 4.5 m -66.31 -49.13 68.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.46 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 174' ' ' THR . . . . . 1.141 HG21 ' O ' ' A' ' 171' ' ' PHE . 0.6 OUTLIER -60.55 -52.07 66.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.392 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 175' ' ' VAL . . . . . 0.868 ' CG2' ' HB ' ' A' ' 21' ' ' VAL . 1.1 t -72.63 1.1 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 176' ' ' ASN . . . . . 0.831 ' HB3' ' O ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -78.03 -59.08 2.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 177' ' ' PHE . . . . . 0.788 ' CZ ' ' HB2' ' A' ' 151' ' ' MET . 1.0 OUTLIER -53.93 -56.71 15.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 111.012 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 178' ' ' ILE . . . . . 0.588 ' CD1' ' N ' ' A' ' 179' ' ' ASN . 0.0 OUTLIER -55.92 -38.87 54.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 179' ' ' ASN . . . . . 0.588 ' N ' ' CD1' ' A' ' 178' ' ' ILE . 7.1 t30 -67.12 -40.36 86.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -82.91 -10.43 58.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.31 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.517 ' N ' ' O ' ' A' ' 177' ' ' PHE . 5.1 t-20 -95.84 -152.18 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 182' ' ' LEU . . . . . 0.606 ' O ' ' N ' ' A' ' 184' ' ' SER . 0.0 OUTLIER -92.0 36.55 0.97 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.137 . . . . 0.0 109.296 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 183' ' ' PHE . . . . . 0.808 ' O ' ' CG ' ' A' ' 183' ' ' PHE . 5.8 t80 32.4 30.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 184' ' ' SER . . . . . 0.606 ' CB ' ' O ' ' A' ' 183' ' ' PHE . 1.1 m 150.91 90.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.995 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 185' ' ' TYR . . . . . 0.642 ' OH ' ' N ' ' A' ' 142' ' ' MET . 8.2 t80 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.58 1.175 . . . . 0.0 111.007 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.517 ' CD1' ' CE1' ' A' ' 84' ' ' HIS . 2.8 mm . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.597 HG22 ' CG2' ' A' ' 178' ' ' ILE . 6.7 m -54.2 -61.16 2.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 110.388 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -46.05 -35.75 5.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.3 OUTLIER -61.94 -33.22 73.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.609 ' CD2' ' CD2' ' A' ' 90' ' ' LEU . 0.4 OUTLIER -64.8 -42.6 94.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 109.269 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.823 ' HB ' ' CG2' ' A' ' 175' ' ' VAL . 0.5 OUTLIER -62.3 -65.19 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.86 ' CD2' ' HA3' ' A' ' 39' ' ' GLY . 2.7 t80 -62.56 -33.52 75.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -72.67 -37.29 57.82 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.542 1.151 . . . . 0.0 111.025 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 1.043 ' CE2' ' HA ' ' A' ' 91' ' ' ALA . 3.1 t80 -53.36 -57.45 10.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 0.77 . . . . 0.0 110.96 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.864 ' HB2' ' CZ ' ' A' ' 171' ' ' PHE . 0.2 OUTLIER -57.91 -39.81 78.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.531 ' CG ' HD12 ' A' ' 35' ' ' LEU . 4.9 tt0 -55.31 -35.09 64.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.345 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.577 ' CB ' ' O ' ' A' ' 88' ' ' ARG . 1.9 t -66.2 -97.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 110.05 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.48 ' N ' ' OG ' ' A' ' 27' ' ' SER . 0.2 OUTLIER -139.46 19.98 2.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.495 ' HA3' ' CE1' ' A' ' 24' ' ' PHE . . . -55.68 -107.81 0.01 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.469 ' SG ' ' CD ' ' A' ' 34' ' ' GLU . 49.1 t -89.32 -93.52 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 34' ' ' GLU . 5.3 p -144.63 152.38 40.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.37 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.554 ' O ' ' CD2' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -42.0 -61.42 1.14 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.256 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.492 ' O ' ' HB ' ' A' ' 37' ' ' VAL . 2.6 tt0 -51.69 -25.81 8.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.138 . . . . 0.0 110.257 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.534 ' HG3' ' CD2' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -68.09 -54.52 17.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.801 ' HG ' ' CE1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -42.96 -39.85 2.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.517 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 0.4 OUTLIER -82.82 -32.88 27.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.794 HG11 HD11 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -62.22 -57.71 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 1.081 ' CD2' ' HB2' ' A' ' 167' ' ' LEU . 0.3 OUTLIER -79.28 -38.74 34.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.86 ' HA3' ' CD2' ' A' ' 22' ' ' PHE . . . -47.45 -50.6 17.84 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.457 1.098 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.48 ' O ' ' O ' ' A' ' 36' ' ' GLU . 1.5 ttp180 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.485 0.756 . . . . 0.0 110.3 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 37.0 mm . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.496 HG22 ' CD1' ' A' ' 16' ' ' ILE . 0.2 OUTLIER -52.58 -39.11 28.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.517 ' CE1' ' CD1' ' A' ' 16' ' ' ILE . 71.1 m80 -61.46 -39.58 91.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 0.0 109.568 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.416 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 52.3 t30 -57.05 -51.61 68.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.477 ' CG1' ' O ' ' A' ' 83' ' ' ILE . 3.8 pt -61.45 -25.57 37.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.531 ' O ' ' HB2' ' A' ' 90' ' ' LEU . . . -61.51 -62.16 2.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.577 ' O ' ' CB ' ' A' ' 27' ' ' SER . 0.3 OUTLIER -63.69 -45.57 89.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.289 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.55 ' N ' ' CG ' ' A' ' 88' ' ' ARG . 23.3 t-80 -54.98 -23.16 17.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.568 1.167 . . . . 0.0 109.61 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.609 ' CD2' ' CD2' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -56.26 -63.42 1.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 1.043 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . . . -52.72 -48.73 66.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -49.49 -46.87 48.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.361 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.533 ' CG2' ' O ' ' A' ' 89' ' ' HIS . 1.1 pt -68.03 -24.68 30.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.461 ' O ' ' HG3' ' A' ' 157' ' ' LYS . . . -61.52 -54.5 35.35 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.555 1.159 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -61.57 -45.94 92.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 0.731 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.82 -40.84 98.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.085 . . . . 0.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.46 ' O ' ' N ' ' A' ' 99' ' ' HIS . 0.3 OUTLIER -51.74 -46.63 64.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 110.963 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 97' ' ' MET . 43.4 t0 -38.79 -30.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.46 ' N ' ' O ' ' A' ' 97' ' ' MET . 50.3 m170 -44.2 -47.59 9.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.627 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -144.77 85.83 1.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.604 ' O ' ' CB ' ' A' ' 102' ' ' GLN . 0.3 OUTLIER -114.7 82.83 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.875 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 3.0 tt0 152.35 52.95 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.875 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.4 Cg_endo -75.02 11.51 1.43 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.511 1.795 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.834 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 0.9 OUTLIER 167.04 1.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.371 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.834 ' HB2' ' O ' ' A' ' 104' ' ' THR . 0.1 OUTLIER 106.01 29.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 1.034 ' HA ' ' CZ ' ' A' ' 138' ' ' PHE . 1.0 OUTLIER -61.35 -74.67 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.277 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.647 ' N ' ' CG1' ' A' ' 106' ' ' VAL . 0.0 OUTLIER -55.65 -17.12 5.05 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 110.337 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.57 ' CG ' ' NH2' ' A' ' 107' ' ' ARG . 0.8 OUTLIER -61.68 -48.13 82.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 110.318 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.903 HD22 ' HA ' ' A' ' 134' ' ' VAL . 0.5 OUTLIER -64.09 -61.63 2.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.946 ' HA ' ' HB3' ' A' ' 130' ' ' ALA . . . -49.97 -35.88 26.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 107' ' ' ARG . . . -69.29 -24.36 63.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.748 ' CG ' ' O ' ' A' ' 109' ' ' LEU . 4.4 pt20 -56.47 -50.97 70.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.275 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.927 ' CD2' ' O ' ' A' ' 110' ' ' ALA . 1.5 p90 -67.77 -39.65 84.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.751 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 5.5 ttp . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 111.022 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.649 ' HA ' ' CD2' ' A' ' 127' ' ' LEU . 4.2 ttp-105 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . 0.53 ' O ' ' N ' ' A' ' 129' ' ' LYS . 24.3 t30 -67.51 -43.19 81.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . 0.567 ' O ' ' HB3' ' A' ' 129' ' ' LYS . 2.0 m -52.48 -58.93 5.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 108.348 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.744 ' O ' ' HE1' ' A' ' 177' ' ' PHE . 0.0 OUTLIER -59.22 -62.34 1.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.422 ' O ' HD11 ' A' ' 131' ' ' LEU . . . -48.5 -30.93 5.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.567 ' HB3' ' O ' ' A' ' 126' ' ' CYS . 3.6 tttt -60.77 -29.37 69.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.946 ' HB3' ' HA ' ' A' ' 110' ' ' ALA . . . -73.5 -40.78 63.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.665 ' O ' ' HB2' ' A' ' 135' ' ' LYS . 0.0 OUTLIER -46.8 -47.98 20.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.705 ' O ' ' HB ' ' A' ' 136' ' ' THR . 0.2 OUTLIER -62.06 -54.89 35.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.61 ' C ' HD23 ' A' ' 109' ' ' LEU . 0.5 OUTLIER -51.57 -61.98 1.91 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.903 ' HA ' HD22 ' A' ' 109' ' ' LEU . 1.4 p -57.59 -37.03 56.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . 0.68 ' NZ ' ' H ' ' A' ' 148' ' ' MET . 1.1 mmpt? -82.67 20.04 1.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' THR . . . . . 0.705 ' HB ' ' O ' ' A' ' 132' ' ' ASP . 0.6 OUTLIER -136.94 -10.06 1.78 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.38 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . 0.693 ' C ' ' HD3' ' A' ' 139' ' ' PRO . . . -111.93 -50.18 2.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . 1.034 ' CZ ' ' HA ' ' A' ' 106' ' ' VAL . 0.0 OUTLIER -117.16 61.53 2.88 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 110.98 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . 0.693 ' HD3' ' C ' ' A' ' 137' ' ' ALA . 18.4 Cg_endo -74.96 145.69 31.9 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.447 1.762 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . 0.802 ' N ' ' CB ' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 176.44 -161.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.364 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . 0.685 ' O ' ' HB2' ' A' ' 145' ' ' ASP . 1.0 OUTLIER -93.85 -105.89 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.082 . . . . 0.0 109.29 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' MET . . . . . 0.537 ' HA ' ' CZ ' ' A' ' 185' ' ' TYR . 7.7 tmm? -67.52 -34.87 77.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -65.49 -58.72 5.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 110.323 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . 0.802 ' CB ' ' N ' ' A' ' 140' ' ' ARG . 1.7 t30 -66.53 -60.5 2.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . 0.685 ' HB2' ' O ' ' A' ' 141' ' ' ASP . 31.9 m-20 -40.44 -52.04 2.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.55 ' O ' ' HG ' ' A' ' 149' ' ' LEU . 6.0 ttmt -66.58 -26.19 66.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.77 ' HB1' ' O ' ' A' ' 144' ' ' ASN . . . -63.53 -54.77 30.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' MET . . . . . 0.728 ' HG3' ' N ' ' A' ' 149' ' ' LEU . 0.9 OUTLIER -55.49 -53.57 54.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 111.029 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.728 ' N ' ' HG3' ' A' ' 148' ' ' MET . 0.5 OUTLIER -55.24 -40.52 70.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . 0.519 ' O ' ' CG ' ' A' ' 153' ' ' MET . 1.4 mt -55.63 -30.2 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 109.287 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' MET . . . . . 1.096 ' O ' ' CD2' ' A' ' 155' ' ' LEU . 6.1 mmm -62.79 -56.96 12.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' THR . . . . . 0.811 ' HB ' ' HA ' ' A' ' 174' ' ' THR . 50.6 p -44.3 -52.1 7.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.372 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' MET . . . . . 0.519 ' CG ' ' O ' ' A' ' 150' ' ' ILE . 10.0 ptp -67.46 -24.95 65.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 111.034 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.703 ' C ' ' CD2' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -60.39 -51.62 68.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 1.096 ' CD2' ' O ' ' A' ' 151' ' ' MET . 0.0 OUTLIER -52.02 -46.45 65.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . 1.112 ' O ' ' O ' ' A' ' 159' ' ' VAL . . . -66.09 -54.09 29.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.552 ' O ' ' HB2' ' A' ' 162' ' ' HIS . 0.0 OUTLIER -43.43 -46.02 6.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.269 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . 0.584 ' O ' ' N ' ' A' ' 163' ' ' ALA . 7.1 mmmt -77.09 -52.91 8.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 159' ' ' VAL . . . . . 1.112 ' O ' ' O ' ' A' ' 156' ' ' ALA . 25.4 t -99.17 160.14 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . 0.553 ' HB1' ' CB ' ' A' ' 170' ' ' VAL . . . 63.79 -53.23 0.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 161' ' ' SER . . . . . 0.631 ' N ' ' O ' ' A' ' 159' ' ' VAL . 0.2 OUTLIER -86.96 -11.51 50.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.003 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . 0.566 ' HB2' ' O ' ' A' ' 158' ' ' LYS . 3.6 m-70 -147.3 -34.79 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.595 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . 0.635 ' CB ' ' HA ' ' A' ' 159' ' ' VAL . . . -118.43 92.56 43.71 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 91.04 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.508 1.794 . . . . 0.0 110.972 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.66 -62.56 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.999 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 6.5 tp -122.06 62.2 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . 1.081 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -47.11 -61.6 1.81 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . 0.737 ' H ' HD11 ' A' ' 167' ' ' LEU . 0.5 OUTLIER -40.19 -45.82 2.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.264 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . 0.589 ' O ' ' OG1' ' A' ' 173' ' ' THR . 0.0 OUTLIER -63.95 -40.76 97.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 170' ' ' VAL . . . . . 0.645 ' CG2' ' HA ' ' A' ' 156' ' ' ALA . 1.1 t -62.86 -61.55 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . 0.864 ' CZ ' ' HB2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -45.25 -49.54 12.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 172' ' ' HIS . . . . . 0.5 ' O ' ' N ' ' A' ' 176' ' ' ASN . 0.8 OUTLIER -58.5 -31.42 67.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.636 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 173' ' ' THR . . . . . 1.021 ' CG2' ' HG ' ' A' ' 155' ' ' LEU . 1.5 m -52.77 -49.06 66.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.414 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 174' ' ' THR . . . . . 0.811 ' HA ' ' HB ' ' A' ' 152' ' ' THR . 32.7 p -59.02 -63.71 1.21 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.395 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 175' ' ' VAL . . . . . 0.823 ' CG2' ' HB ' ' A' ' 21' ' ' VAL . 7.3 t -72.48 8.26 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 176' ' ' ASN . . . . . 0.746 ' HB3' ' O ' ' A' ' 173' ' ' THR . 0.1 OUTLIER -73.15 -57.23 4.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.356 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 177' ' ' PHE . . . . . 0.794 ' CD2' ' CG2' ' A' ' 152' ' ' THR . 7.0 m-30 -65.13 -54.88 23.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 178' ' ' ILE . . . . . 0.696 ' O ' ' HA ' ' A' ' 183' ' ' PHE . 2.5 mt -51.09 -40.1 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 179' ' ' ASN . . . . . 0.736 ' O ' ' O ' ' A' ' 180' ' ' GLN . 11.5 t-20 -70.41 -33.03 70.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 180' ' ' GLN . . . . . 0.841 ' HG3' ' H ' ' A' ' 182' ' ' LEU . 0.4 OUTLIER -47.25 -152.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 110.26 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.635 ' N ' ' CG ' ' A' ' 180' ' ' GLN . 58.6 t30 -98.04 -30.8 12.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 182' ' ' LEU . . . . . 0.997 ' O ' ' O ' ' A' ' 183' ' ' PHE . 0.3 OUTLIER -80.53 -2.22 45.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.252 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 183' ' ' PHE . . . . . 0.997 ' O ' ' O ' ' A' ' 182' ' ' LEU . 0.1 OUTLIER 27.23 -178.93 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 184' ' ' SER . . . . . 0.786 ' N ' ' CG ' ' A' ' 183' ' ' PHE . 0.6 OUTLIER -47.71 178.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 110.014 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 185' ' ' TYR . . . . . 0.537 ' CZ ' ' HA ' ' A' ' 142' ' ' MET . 1.1 t80 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.971 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.443 ' CD1' HG23 ' A' ' 83' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.683 HG22 ' CG2' ' A' ' 178' ' ' ILE . 14.3 m -53.68 -59.07 5.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.386 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -48.88 -36.27 16.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.353 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.511 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.6 OUTLIER -61.29 -33.25 73.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.246 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.624 ' CD2' ' CD2' ' A' ' 90' ' ' LEU . 1.5 tm? -64.27 -45.79 86.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.863 ' HB ' ' CG2' ' A' ' 175' ' ' VAL . 0.5 OUTLIER -59.22 -64.29 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.771 ' HA ' ' CE2' ' A' ' 171' ' ' PHE . 1.4 t80 -62.27 -30.49 71.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 111.029 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -73.68 -34.95 55.91 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.514 1.134 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 1.004 ' CE2' ' HA ' ' A' ' 91' ' ' ALA . 1.3 t80 -56.9 -56.04 26.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 0.78 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 1.033 ' HB2' ' CZ ' ' A' ' 171' ' ' PHE . 0.3 OUTLIER -56.77 -43.37 80.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.579 ' HG3' ' N ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -59.97 -29.54 68.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.324 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.579 ' N ' ' HG3' ' A' ' 26' ' ' GLN . 0.1 OUTLIER -69.14 -86.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.3 t -144.35 50.14 1.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.001 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.412 ' HA3' ' HA ' ' A' ' 25' ' ' LEU . . . -99.73 -97.49 2.17 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.464 1.103 . . . . 0.0 111.043 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.63 ' HB3' ' CB ' ' A' ' 34' ' ' GLU . 43.5 t -110.64 -104.64 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.493 ' O ' HD22 ' A' ' 35' ' ' LEU . 2.7 m -143.83 166.93 23.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.403 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.643 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -46.52 -45.81 18.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 110.261 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.525 ' O ' ' CG2' ' A' ' 37' ' ' VAL . 1.1 mm-40 -60.64 -29.68 69.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.333 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.63 ' CB ' ' HB3' ' A' ' 30' ' ' CYS . 0.7 OUTLIER -71.45 -59.4 2.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.643 ' HG ' ' O ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -46.36 -37.21 7.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.455 ' HA ' ' CE2' ' A' ' 22' ' ' PHE . 11.6 tt0 -72.44 -34.34 67.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.686 ' CG1' HD23 ' A' ' 167' ' ' LEU . 64.1 t -62.2 -63.37 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 1.085 ' HB2' ' CD2' ' A' ' 171' ' ' PHE . 0.1 OUTLIER -73.12 -39.47 65.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.703 ' HA3' ' CD2' ' A' ' 22' ' ' PHE . . . -46.53 -56.39 7.31 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 111.038 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.78 . . . . 0.0 110.306 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.414 ' CG2' ' N ' ' A' ' 83' ' ' ILE . 4.6 mp . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.443 HG23 ' CD1' ' A' ' 16' ' ' ILE . 6.3 mt -53.02 -38.84 30.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.353 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.499 ' CD2' ' HG ' ' A' ' 19' ' ' LEU . 44.4 m80 -61.94 -44.68 96.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.593 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.401 ' HB3' ' O ' ' A' ' 82' ' ' ILE . 3.6 t-20 -54.82 -50.06 69.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.467 HG21 ' N ' ' A' ' 87' ' ' ALA . 1.2 tp -61.71 -37.27 77.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.657 ' O ' ' HB2' ' A' ' 90' ' ' LEU . . . -53.97 -44.45 70.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.548 ' C ' ' OG ' ' A' ' 27' ' ' SER . 0.3 OUTLIER -67.17 -51.98 47.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.682 ' CE1' ' CG2' ' A' ' 93' ' ' ILE . 65.1 t60 -51.18 -20.5 1.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.569 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.657 ' HB2' ' O ' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -58.1 -64.84 0.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 1.004 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . . . -55.26 -45.2 76.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -51.64 -48.07 63.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.27 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.682 ' CG2' ' CE1' ' A' ' 89' ' ' HIS . 1.7 pt -67.64 -22.17 28.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.54 -55.72 25.69 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.488 1.118 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -62.49 -51.57 66.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 0.776 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -61.38 -38.29 86.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.331 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.594 ' CB ' ' O ' ' A' ' 93' ' ' ILE . 7.0 tpp -51.45 -47.6 63.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.962 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 97' ' ' MET . 30.7 t0 -37.51 -32.46 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.455 ' N ' ' O ' ' A' ' 97' ' ' MET . 41.1 t60 -44.23 -39.93 4.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 109.584 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -143.74 87.6 1.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.609 HG21 ' HB2' ' A' ' 107' ' ' ARG . 4.3 mt -116.41 81.29 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.976 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 3.4 tm0? 155.73 48.91 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.27 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.976 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.3 Cg_endo -75.01 76.86 3.28 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.888 ' OG1' ' O ' ' A' ' 103' ' ' PRO . 11.9 p 87.55 5.15 0.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.461 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.655 ' CB ' ' O ' ' A' ' 104' ' ' THR . 8.3 mt 103.01 26.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.804 HG21 ' CD1' ' A' ' 138' ' ' PHE . 0.9 OUTLIER -66.85 -75.41 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.619 ' N ' ' CG1' ' A' ' 106' ' ' VAL . 16.9 mmt180 -57.19 -15.61 6.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.152 . . . . 0.0 110.26 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -63.01 -48.97 76.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 1.035 HD23 ' HA ' ' A' ' 134' ' ' VAL . 1.1 pp -60.44 -59.31 5.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.128 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.848 ' HA ' ' HB3' ' A' ' 130' ' ' ALA . . . -50.3 -34.77 24.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.453 ' O ' ' HG3' ' A' ' 114' ' ' MET . . . -70.18 -24.06 63.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.763 ' CG ' ' O ' ' A' ' 109' ' ' LEU . 6.1 pt20 -54.89 -53.61 53.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.295 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.858 ' CZ ' ' CD1' ' A' ' 155' ' ' LEU . 2.2 p90 -68.59 -38.46 80.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 111.007 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.661 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.495 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . 0.545 ' O ' ' N ' ' A' ' 129' ' ' LYS . 9.2 p30 -67.02 -42.38 85.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . 0.561 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 1.6 p -51.65 -55.73 17.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 108.267 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.854 ' HA ' ' CE1' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -57.0 -70.16 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -46.25 -29.84 1.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.561 ' HB2' ' O ' ' A' ' 126' ' ' CYS . 21.1 mtpt -60.94 -29.26 69.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.848 ' HB3' ' HA ' ' A' ' 110' ' ' ALA . . . -72.0 -46.44 57.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.709 ' HB3' ' CE1' ' A' ' 177' ' ' PHE . 0.3 OUTLIER -41.95 -46.86 4.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.281 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.892 ' O ' ' HB ' ' A' ' 136' ' ' THR . 7.7 t70 -67.0 -44.13 81.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.595 ' CB ' HD12 ' A' ' 109' ' ' LEU . 1.5 mp0 -61.93 -61.59 2.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.285 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 1.035 ' HA ' HD23 ' A' ' 109' ' ' LEU . 0.1 OUTLIER -52.62 -38.86 28.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.513 1.133 . . . . 0.0 109.245 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . 0.634 ' CG ' ' O ' ' A' ' 131' ' ' LEU . 0.5 OUTLIER -84.17 7.35 19.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' THR . . . . . 0.892 ' HB ' ' O ' ' A' ' 132' ' ' ASP . 0.5 OUTLIER -110.57 -22.55 11.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 110.421 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . 0.707 ' C ' ' HD3' ' A' ' 139' ' ' PRO . . . -105.47 -49.02 3.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . 0.804 ' CD1' HG21 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -117.54 59.57 2.83 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 111.024 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . 0.707 ' HD3' ' C ' ' A' ' 137' ' ' ALA . 18.3 Cg_endo -74.97 155.46 43.05 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.493 1.786 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . 0.739 ' N ' ' CB ' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 161.93 -167.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . 0.688 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 0.8 OUTLIER -88.06 -105.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' MET . . . . . 0.641 ' HA ' ' CE2' ' A' ' 185' ' ' TYR . 12.6 ptt? -63.45 -32.37 73.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . 0.428 ' O ' ' HB1' ' A' ' 147' ' ' ALA . 4.3 mt-10 -66.16 -60.72 2.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . 0.739 ' CB ' ' N ' ' A' ' 140' ' ' ARG . 2.1 t-20 -69.92 -56.94 5.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . 0.688 ' CB ' ' O ' ' A' ' 141' ' ' ASP . 10.4 m-20 -38.73 -54.67 1.56 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.244 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.501 ' O ' ' CG1' ' A' ' 150' ' ' ILE . 6.1 mmpt? -64.58 -33.31 75.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.579 ' N ' ' O ' ' A' ' 144' ' ' ASN . . . -61.32 -54.3 45.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.378 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' MET . . . . . 0.544 ' O ' ' HB2' ' A' ' 151' ' ' MET . 2.4 mtm -51.54 -57.09 10.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.155 . . . . 0.0 111.024 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.555 ' CD1' ' CG1' ' A' ' 178' ' ' ILE . 7.3 tp -54.77 -43.3 72.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . 0.59 ' CG2' ' CZ ' ' A' ' 107' ' ' ARG . 1.3 mm -51.86 -31.86 13.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.108 . . . . 0.0 109.298 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' MET . . . . . 1.055 ' O ' ' CD2' ' A' ' 155' ' ' LEU . 4.9 mmm -61.76 -56.0 24.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 111.01 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' THR . . . . . 0.754 ' HB ' ' O ' ' A' ' 173' ' ' THR . 44.4 p -45.37 -47.16 13.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.427 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' MET . . . . . 0.502 ' HE2' ' CD1' ' A' ' 93' ' ' ILE . 26.2 mtm -68.27 -25.17 65.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 111.011 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.656 ' C ' ' CD2' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -62.21 -51.23 68.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 1.089 ' H ' ' CD2' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -52.93 -54.69 31.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . 0.723 ' O ' ' N ' ' A' ' 160' ' ' ALA . . . -60.52 -54.91 39.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.492 ' O ' ' CE ' ' A' ' 157' ' ' LYS . 0.0 OUTLIER -43.18 -52.21 5.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.342 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . 0.873 ' O ' ' N ' ' A' ' 162' ' ' HIS . 11.5 mmtp -75.51 -54.06 7.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 159' ' ' VAL . . . . . 0.697 ' HA ' ' H ' ' A' ' 163' ' ' ALA . 49.0 t -52.27 -56.13 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . 0.723 ' N ' ' O ' ' A' ' 156' ' ' ALA . . . -32.73 -37.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 161' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 159' ' ' VAL . 0.4 OUTLIER -119.8 -10.91 9.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.02 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . 0.873 ' N ' ' O ' ' A' ' 158' ' ' LYS . 16.2 t-80 -95.46 -50.87 4.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.606 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . 0.697 ' H ' ' HA ' ' A' ' 159' ' ' VAL . . . -126.27 66.01 59.78 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 164' ' ' PRO . . . . . 0.502 ' HD3' ' C ' ' A' ' 162' ' ' HIS . 18.3 Cg_endo -74.96 5.6 3.87 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.519 1.8 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.2 -0.64 55.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.018 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 17.5 mt -143.8 48.49 1.41 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.579 1.174 . . . . 0.0 109.284 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . 0.768 HD11 ' N ' ' A' ' 168' ' ' ARG . 0.0 OUTLIER -51.35 -21.88 2.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . 0.768 ' N ' HD11 ' A' ' 167' ' ' LEU . 3.3 ptm180 -61.98 -48.67 79.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . 0.66 ' O ' ' OG1' ' A' ' 173' ' ' THR . 2.6 t70 -65.54 -34.48 78.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 170' ' ' VAL . . . . . 0.607 ' CG2' ' HA ' ' A' ' 156' ' ' ALA . 0.9 OUTLIER -48.9 -60.32 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . 1.085 ' CD2' ' HB2' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -57.16 -50.95 71.24 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 172' ' ' HIS . . . . . 0.603 ' O ' ' CB ' ' A' ' 176' ' ' ASN . 3.5 t-160 -49.25 -42.46 40.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.544 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 173' ' ' THR . . . . . 0.957 ' CG2' ' HG ' ' A' ' 155' ' ' LEU . 1.7 m -52.97 -52.39 58.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.369 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 174' ' ' THR . . . . . 0.742 ' HA ' ' HB ' ' A' ' 152' ' ' THR . 16.8 p -57.88 -68.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.462 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 175' ' ' VAL . . . . . 0.863 ' CG2' ' HB ' ' A' ' 21' ' ' VAL . 16.2 t -70.64 12.42 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.138 . . . . 0.0 109.339 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 176' ' ' ASN . . . . . 0.741 ' HB3' ' O ' ' A' ' 173' ' ' THR . 0.1 OUTLIER -77.11 -56.18 4.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 177' ' ' PHE . . . . . 0.716 ' CG ' ' CG2' ' A' ' 152' ' ' THR . 7.0 m-30 -68.27 -47.18 68.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.959 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 178' ' ' ILE . . . . . 0.683 ' CG2' HG22 ' A' ' 17' ' ' THR . 4.0 mt -53.43 -58.2 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.365 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 179' ' ' ASN . . . . . 0.528 ' HB3' ' O ' ' A' ' 175' ' ' VAL . 0.3 OUTLIER -58.82 -37.23 75.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 180' ' ' GLN . . . . . 0.556 ' HG2' ' CD2' ' A' ' 131' ' ' LEU . 12.1 tp60 -53.33 -104.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -123.73 -5.55 8.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.345 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 182' ' ' LEU . . . . . 0.819 ' O ' ' N ' ' A' ' 184' ' ' SER . 0.0 OUTLIER -94.74 35.81 1.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 183' ' ' PHE . . . . . 0.547 ' HA ' ' O ' ' A' ' 178' ' ' ILE . 1.1 t80 -44.54 71.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 184' ' ' SER . . . . . 0.819 ' N ' ' O ' ' A' ' 182' ' ' LEU . 0.4 OUTLIER 56.06 138.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.978 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 185' ' ' TYR . . . . . 0.641 ' CE2' ' HA ' ' A' ' 142' ' ' MET . 2.0 t80 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.566 HD12 ' CE1' ' A' ' 84' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.72 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 3.0 m -53.05 -43.95 67.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.421 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -48.76 -46.0 40.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 109.235 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.8 OUTLIER -66.34 -25.37 66.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.741 HD12 ' CD2' ' A' ' 90' ' ' LEU . 0.1 OUTLIER -62.44 -50.28 72.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.867 ' H ' HG23 ' A' ' 175' ' ' VAL . 0.4 OUTLIER -55.27 -59.28 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.775 ' CE1' ' HB3' ' A' ' 35' ' ' LEU . 3.4 t80 -63.89 -27.5 69.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -72.9 -40.9 50.87 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 1.109 ' CE2' ' HA ' ' A' ' 91' ' ' ALA . 0.3 OUTLIER -52.2 -53.57 41.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.0 110.968 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.955 ' HB3' ' HG ' ' A' ' 35' ' ' LEU . 6.2 tp -59.29 -41.31 88.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.464 ' CB ' HD22 ' A' ' 35' ' ' LEU . 0.3 OUTLIER -56.48 -33.85 66.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 -179.93 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.507 ' OG ' ' O ' ' A' ' 24' ' ' PHE . 0.3 OUTLIER -60.86 -73.11 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.014 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.7 t -142.13 28.48 1.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.972 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.551 ' N ' ' O ' ' A' ' 25' ' ' LEU . . . -61.3 -146.91 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.533 ' HB3' ' CB ' ' A' ' 34' ' ' GLU . 7.5 t -86.4 -87.39 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.432 ' H ' ' HB2' ' A' ' 34' ' ' GLU . 5.7 t -146.99 172.26 13.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.418 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.86 -54.83 9.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -53.39 -27.71 25.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.255 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.682 ' HB3' HD22 ' A' ' 25' ' ' LEU . 9.7 tp10 -68.41 -56.19 9.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.955 ' HG ' ' HB3' ' A' ' 25' ' ' LEU . 9.7 mp -46.75 -38.46 10.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.22 -45.12 67.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.624 ' CG1' ' N ' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -62.67 -58.67 6.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.909 ' HB3' ' CG ' ' A' ' 171' ' ' PHE . 19.7 mt -69.96 -44.57 69.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.641 ' N ' ' CD2' ' A' ' 171' ' ' PHE . . . -50.43 -51.16 33.05 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.45 1.094 . . . . 0.0 111.047 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.0 110.319 179.973 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.412 HG13 ' CB ' ' A' ' 85' ' ' ASN . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.447 HG23 ' CG2' ' A' ' 16' ' ' ILE . 2.6 mp -54.8 -50.58 59.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.566 ' CE1' HD12 ' A' ' 16' ' ' ILE . 95.4 m-70 -62.13 -30.53 71.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.578 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.412 ' CB ' HG13 ' A' ' 82' ' ' ILE . 1.5 t-20 -60.31 -50.79 72.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.1 tp -64.78 -29.91 48.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.694 ' O ' ' HB2' ' A' ' 90' ' ' LEU . . . -54.6 -50.46 67.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.485 ' O ' ' CB ' ' A' ' 27' ' ' SER . 5.6 mtp180 -68.41 -41.88 79.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.548 ' CE1' HG12 ' A' ' 93' ' ' ILE . 60.5 t60 -60.35 -16.32 33.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.605 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.741 ' CD2' HD12 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -59.84 -65.37 0.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.266 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 1.109 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . . . -56.67 -54.72 42.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.341 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -52.13 -27.77 15.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.548 HG12 ' CE1' ' A' ' 89' ' ' HIS . 1.0 OUTLIER -70.67 -38.03 71.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.269 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -59.62 -53.85 42.61 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.501 1.126 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -63.95 -51.38 64.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 0.759 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -57.56 -42.87 83.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.266 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.532 ' HB2' ' O ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -54.06 -44.84 71.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 110.97 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.55 -29.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.44 ' N ' ' C ' ' A' ' 97' ' ' MET . 1.6 t-80 -55.69 -52.17 64.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 109.622 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 97' ' ' MET . 13.5 p-10 -146.96 86.57 1.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.525 ' CG1' ' HG3' ' A' ' 97' ' ' MET . 0.2 OUTLIER -143.46 101.77 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.846 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 6.8 mt-30 159.39 52.0 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.334 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.846 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.2 Cg_endo -75.05 4.57 4.65 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.515 1.797 . . . . 0.0 111.026 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.702 ' O ' ' CB ' ' A' ' 105' ' ' LEU . 0.8 OUTLIER 177.38 -0.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.561 1.163 . . . . 0.0 110.365 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.702 ' CB ' ' O ' ' A' ' 104' ' ' THR . 3.0 mt 107.8 46.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.758 ' HA ' ' CZ ' ' A' ' 138' ' ' PHE . 0.0 OUTLIER -52.26 -93.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.472 ' HG2' ' CG2' ' A' ' 101' ' ' ILE . 0.0 OUTLIER -46.47 -19.54 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.295 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.52 ' HB3' ' HB3' ' A' ' 105' ' ' LEU . 0.6 OUTLIER -69.39 -54.71 13.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 110.272 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 1.049 ' O ' ' CD ' ' A' ' 112' ' ' GLN . 1.3 pp -63.43 -59.88 4.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.447 1.092 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 1.082 ' O ' ' CD2' ' A' ' 113' ' ' PHE . . . -44.95 -48.34 11.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.447 ' CB ' ' O ' ' A' ' 107' ' ' ARG . . . -62.28 -20.13 63.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 1.049 ' CD ' ' O ' ' A' ' 109' ' ' LEU . 0.2 OUTLIER -54.89 -49.55 70.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.308 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 1.082 ' CD2' ' O ' ' A' ' 110' ' ' ALA . 2.4 p90 -63.88 -41.41 97.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.851 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 8.2 ttp . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.754 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . 0.525 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 3.3 t-20 -70.85 -31.82 68.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . 0.492 ' O ' ' HB3' ' A' ' 129' ' ' LYS . 0.0 OUTLIER -44.38 -59.35 2.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 108.293 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.828 ' HA ' ' CZ ' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -51.39 -69.36 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -45.97 -29.09 1.31 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.525 ' HB2' ' O ' ' A' ' 125' ' ' ASN . 0.0 OUTLIER -59.66 -31.06 69.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 109.311 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.774 ' HB3' ' HA ' ' A' ' 110' ' ' ALA . . . -71.66 -47.43 54.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.693 ' N ' ' CZ ' ' A' ' 177' ' ' PHE . 0.0 OUTLIER -39.97 -45.96 1.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.535 ' O ' ' HB ' ' A' ' 136' ' ' THR . 0.1 OUTLIER -70.67 -41.04 72.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.579 ' CB ' HD12 ' A' ' 109' ' ' LEU . 7.9 mm-40 -64.77 -61.35 2.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.316 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 1.027 ' HA ' HD23 ' A' ' 109' ' ' LEU . 0.2 OUTLIER -44.13 -44.82 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . 0.736 ' O ' ' CG ' ' A' ' 139' ' ' PRO . 37.5 mtmt -72.25 -31.52 65.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' THR . . . . . 0.535 ' HB ' ' O ' ' A' ' 132' ' ' ASP . 0.7 OUTLIER -58.49 -20.13 43.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.364 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . 0.706 ' C ' ' HD3' ' A' ' 139' ' ' PRO . . . -114.76 -46.86 2.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . 0.857 ' O ' ' HB3' ' A' ' 144' ' ' ASN . 0.0 OUTLIER -118.16 58.58 3.15 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.165 . . . . 0.0 110.974 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . 0.736 ' CG ' ' O ' ' A' ' 135' ' ' LYS . 18.2 Cg_endo -75.0 149.17 36.3 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.489 1.784 . . . . 0.0 110.945 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . 0.798 ' HB2' ' CG ' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 162.82 -171.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.352 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . 0.578 ' O ' ' N ' ' A' ' 145' ' ' ASP . 1.7 m-20 -84.77 -141.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' MET . . . . . 0.449 ' O ' ' HB3' ' A' ' 146' ' ' LYS . 31.9 mmt -49.04 -33.94 12.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 111.021 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.38 -67.79 0.27 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . 0.857 ' HB3' ' O ' ' A' ' 138' ' ' PHE . 0.9 OUTLIER -76.43 -44.61 35.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . 0.578 ' N ' ' O ' ' A' ' 141' ' ' ASP . 7.7 t70 -36.9 -50.53 0.87 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.449 ' HB3' ' O ' ' A' ' 142' ' ' MET . 0.5 OUTLIER -54.43 -32.08 56.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.739 ' N ' ' O ' ' A' ' 144' ' ' ASN . . . -57.03 -55.25 37.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.586 1.179 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' MET . . . . . 0.883 ' HG3' ' N ' ' A' ' 149' ' ' LEU . 0.0 OUTLIER -51.35 -42.84 61.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 111.055 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . 0.883 ' N ' ' HG3' ' A' ' 148' ' ' MET . 2.1 tp -55.62 -43.94 76.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' ILE . . . . . 0.413 HG23 HG13 ' A' ' 101' ' ' ILE . 52.8 mt -55.46 -32.35 29.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' MET . . . . . 0.697 ' HE2' ' O ' ' A' ' 106' ' ' VAL . 23.5 mmm -57.69 -52.81 63.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' THR . . . . . 0.892 ' CG2' ' CG ' ' A' ' 177' ' ' PHE . 44.8 p -53.87 -47.98 70.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.39 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' MET . . . . . . . . . . . . . 2.7 mpp? -62.79 -27.54 69.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.952 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.683 ' C ' ' CD2' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -57.27 -57.27 13.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.694 HD22 ' CE1' ' A' ' 113' ' ' PHE . 5.4 mp -48.31 -49.36 34.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . 1.028 ' O ' ' O ' ' A' ' 159' ' ' VAL . . . -64.82 -46.29 82.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.346 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 7.5 tptp -48.67 -51.87 26.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.35 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . 0.818 ' O ' ' N ' ' A' ' 163' ' ' ALA . 0.0 OUTLIER -78.2 -51.52 10.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 109.295 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 159' ' ' VAL . . . . . 1.028 ' O ' ' O ' ' A' ' 156' ' ' ALA . 57.7 t -90.48 154.97 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . 0.551 ' HB1' ' CB ' ' A' ' 170' ' ' VAL . . . 70.92 -47.75 0.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 161' ' ' SER . . . . . 0.46 ' H ' ' C ' ' A' ' 159' ' ' VAL . 0.2 OUTLIER -96.2 -9.51 30.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.951 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . 0.646 ' CB ' ' O ' ' A' ' 158' ' ' LYS . 0.1 OUTLIER -151.53 -35.64 0.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.573 1.17 . . . . 0.0 109.606 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . 0.818 ' N ' ' O ' ' A' ' 158' ' ' LYS . . . -113.45 98.2 45.9 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 53.92 3.48 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.499 1.789 . . . . 0.0 111.007 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 3.9 m -111.13 -65.3 1.18 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.004 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . 0.631 ' O ' ' N ' ' A' ' 170' ' ' VAL . 0.2 OUTLIER -105.89 53.14 0.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.336 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . 0.753 ' N ' HD11 ' A' ' 167' ' ' LEU . 0.0 OUTLIER -52.32 -59.07 4.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . 0.696 ' N ' HD21 ' A' ' 167' ' ' LEU . 0.7 OUTLIER -58.16 -48.78 79.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.318 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . 0.615 ' N ' ' CG ' ' A' ' 168' ' ' ARG . 0.2 OUTLIER -62.33 -36.56 82.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 170' ' ' VAL . . . . . 0.642 ' CG2' ' HB ' ' A' ' 159' ' ' VAL . 1.0 OUTLIER -50.37 -57.78 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 171' ' ' PHE . . . . . 0.909 ' CG ' ' HB3' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -50.12 -53.65 25.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 172' ' ' HIS . . . . . 0.632 ' O ' ' CB ' ' A' ' 176' ' ' ASN . 22.2 t-160 -54.35 -29.18 47.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.569 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 173' ' ' THR . . . . . 0.838 ' O ' ' HB ' ' A' ' 152' ' ' THR . 2.1 m -56.6 -57.24 13.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.396 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 174' ' ' THR . . . . . 0.583 ' HA ' ' CB ' ' A' ' 152' ' ' THR . 32.7 p -53.79 -64.77 0.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.402 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 175' ' ' VAL . . . . . 0.867 HG23 ' H ' ' A' ' 21' ' ' VAL . 33.3 t -72.42 9.26 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 176' ' ' ASN . . . . . 0.795 ' HB3' ' O ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -77.44 -55.62 5.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 177' ' ' PHE . . . . . 0.892 ' CG ' ' CG2' ' A' ' 152' ' ' THR . 3.6 m-30 -62.09 -51.77 66.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 178' ' ' ILE . . . . . 0.581 ' CG2' HG22 ' A' ' 17' ' ' THR . 2.4 mt -55.2 -45.26 77.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -58.63 -39.98 82.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -94.7 1.38 55.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.275 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 181' ' ' ASN . . . . . 0.635 ' N ' ' O ' ' A' ' 177' ' ' PHE . 57.5 t30 -97.62 -143.49 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 182' ' ' LEU . . . . . 0.59 ' CD1' ' N ' ' A' ' 182' ' ' LEU . 0.0 OUTLIER -95.29 41.96 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 183' ' ' PHE . . . . . 0.646 ' O ' ' CD2' ' A' ' 183' ' ' PHE . 5.3 t80 21.08 95.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 184' ' ' SER . . . . . 0.621 ' CB ' ' O ' ' A' ' 183' ' ' PHE . 2.0 m 95.57 70.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.974 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 185' ' ' TYR . . . . . 0.463 ' CD1' ' OD1' ' A' ' 145' ' ' ASP . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.989 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 ptt? . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.5 0.19 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 168.62 127.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 175.94 128.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.992 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 175.95 120.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 110.27 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.402 ' O ' ' CB ' ' A' ' 6' ' ' SER . 12.2 p -164.86 146.49 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' ' 5' ' ' VAL . 0.5 OUTLIER 166.69 129.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.995 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 32.0 t30 176.48 160.7 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 109.26 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 142.2 112.28 0.9 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.461 1.101 . . . . 0.0 110.97 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.9 t -148.44 160.99 42.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 0.78 . . . . 0.0 109.975 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.45 -173.32 14.66 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.499 1.125 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 mm? 66.26 135.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 0.749 . . . . 0.0 109.33 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 115.61 -149.67 18.8 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.545 1.153 . . . . 0.0 111.009 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 74.03 129.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 0.747 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.471 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.2 OUTLIER -169.81 145.83 3.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 38.6 m80 -63.61 -52.11 62.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.602 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.7 ' CG1' ' CZ ' ' A' ' 183' ' ' PHE . 8.6 tp -62.78 -31.93 53.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.561 ' CG2' HG11 ' A' ' 175' ' ' VAL . 0.9 OUTLIER -53.33 -63.52 1.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.416 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -51.7 -35.82 44.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.543 ' O ' ' N ' ' A' ' 23' ' ' GLY . 1.0 OUTLIER -56.51 -33.16 65.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.653 ' CD2' ' CD2' ' A' ' 90' ' ' LEU . 1.5 tm? -65.24 -42.77 93.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.88 ' HB ' ' CG2' ' A' ' 175' ' ' VAL . 0.4 OUTLIER -63.89 -63.62 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.733 ' CD1' ' HA3' ' A' ' 39' ' ' GLY . 0.6 OUTLIER -63.37 -32.0 73.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 111.01 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.543 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -74.29 -40.22 41.6 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 1.081 ' CE2' ' HA ' ' A' ' 91' ' ' ALA . 0.5 OUTLIER -51.89 -55.18 21.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 0.761 . . . . 0.0 111.047 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.879 HD22 ' N ' ' A' ' 35' ' ' LEU . 6.3 tp -60.88 -42.79 98.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.8 tm0? -49.23 -33.28 12.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.51 ' CB ' ' HB2' ' A' ' 88' ' ' ARG . 0.1 OUTLIER -82.88 -57.03 3.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.036 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.44 ' O ' ' O ' ' A' ' 25' ' ' LEU . 11.8 t -145.29 -141.87 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.049 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.472 ' O ' ' O ' ' A' ' 30' ' ' CYS . . . 81.78 -144.09 23.84 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.436 1.085 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.51 ' HB3' ' CB ' ' A' ' 34' ' ' GLU . 34.6 t -56.06 -110.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.426 ' O ' ' HB3' ' A' ' 34' ' ' GLU . 5.1 m -140.96 170.3 15.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.45 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.723 ' HA ' HD21 ' A' ' 35' ' ' LEU . 14.3 ptt180 -49.6 -55.3 14.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.259 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -51.85 -27.66 13.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.165 . . . . 0.0 110.316 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.717 ' HB3' HD22 ' A' ' 25' ' ' LEU . 2.9 tp10 -68.11 -57.48 6.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 110.276 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.879 ' N ' HD22 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -46.57 -32.57 3.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.542 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 5.2 tt0 -68.12 -46.62 70.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.621 ' CG1' ' N ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -65.73 -56.77 13.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.797 ' HB2' ' CD2' ' A' ' 171' ' ' PHE . 5.1 mt -67.45 -49.4 63.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.419 1.074 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.733 ' HA3' ' CD1' ' A' ' 22' ' ' PHE . . . -57.62 -41.52 93.7 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.542 ' CB ' ' O ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -50.65 97.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 0.761 . . . . 0.0 110.275 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.439 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 0.9 OUTLIER -143.33 130.48 20.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 110.318 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -101.01 105.93 41.53 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.492 ' CD ' ' HB2' ' A' ' 47' ' ' TYR . 18.3 Cg_endo -75.04 -163.72 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.51 1.795 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.506 ' O ' ' CG ' ' A' ' 45' ' ' GLN . 54.4 t -88.1 86.85 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.506 ' CG ' ' O ' ' A' ' 44' ' ' VAL . 2.8 mm-40 159.73 -92.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.265 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 174.21 63.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.514 ' O ' ' CB ' ' A' ' 48' ' ' TRP . 33.1 t80 -41.19 164.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.969 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.522 ' HA ' ' CE3' ' A' ' 48' ' ' TRP . 0.1 OUTLIER 161.1 136.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 108.037 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.505 ' O ' ' CB ' ' A' ' 50' ' ' ALA . 3.9 tt0 -146.1 -150.64 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 49' ' ' GLU . . . 162.63 163.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.468 ' O ' ' C ' ' A' ' 52' ' ' LEU . 5.7 t0 -172.24 108.09 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.468 ' C ' ' O ' ' A' ' 51' ' ' ASP . 1.3 pt? -35.22 150.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.74 172.78 7.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 110.338 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -122.0 169.57 10.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -153.97 -179.79 8.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.31 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.68 -179.22 7.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -163.39 126.76 2.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 26.8 p -87.8 -168.58 2.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.401 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -156.36 156.76 34.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -125.93 -98.33 1.11 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.3 p 79.05 153.34 0.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 0.755 . . . . 0.0 109.965 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -134.91 -66.88 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.6 117.32 3.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 49.8 m -166.13 125.34 1.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.985 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 66' ' ' SER . 12.0 ttp-105 -91.98 145.13 24.78 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 110.33 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 65' ' ' ARG . 55.7 p -35.92 105.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.004 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -177.88 93.88 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 176.22 156.73 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -175.17 73.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 166.9 133.02 1.46 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -149.38 45.12 0.96 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 0.767 . . . . 0.0 110.266 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.8 mp -88.96 146.97 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.65 159.02 32.01 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 157.22 42.85 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.492 1.785 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -156.12 111.42 2.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.81 122.97 9.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 109.965 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -119.57 119.59 34.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.1 t -162.56 102.85 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.002 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -134.13 123.22 24.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -78.27 160.94 27.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 66.74 115.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.254 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 3.7 pt -99.05 -37.26 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.479 ' CG2' HD12 ' A' ' 16' ' ' ILE . 0.4 OUTLIER -52.24 -56.25 7.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.441 ' NE2' HD11 ' A' ' 19' ' ' LEU . 30.3 m80 -54.65 -39.22 67.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.556 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.496 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 0.9 OUTLIER -54.3 -44.17 71.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 109.268 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.454 HG21 ' N ' ' A' ' 87' ' ' ALA . 1.3 tp -61.4 -35.22 65.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.595 ' O ' ' HB2' ' A' ' 90' ' ' LEU . . . -57.27 -58.91 6.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.51 ' HB2' ' CB ' ' A' ' 27' ' ' SER . 2.8 ptt180 -64.16 -37.34 87.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.428 ' N ' ' CG ' ' A' ' 88' ' ' ARG . 15.4 t-80 -57.1 -25.36 58.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.58 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.653 ' CD2' ' CD2' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -55.11 -60.05 3.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.321 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 1.081 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . . . -54.76 -52.25 63.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -47.87 -35.07 9.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.313 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.464 HG23 ' CE ' ' A' ' 153' ' ' MET . 9.6 mm -70.66 -34.16 55.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.459 ' N ' ' SD ' ' A' ' 153' ' ' MET . . . -57.44 -52.9 48.97 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -60.05 -52.48 65.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -56.69 -41.23 76.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.477 ' HG3' ' CE ' ' A' ' 153' ' ' MET . 0.0 OUTLIER -52.79 -44.86 66.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 97' ' ' MET . 22.3 t0 -39.06 -29.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.472 ' N ' ' C ' ' A' ' 97' ' ' MET . 20.1 t-160 -51.49 -53.5 36.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.137 . . . . 0.0 109.595 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 97' ' ' MET . 1.9 t-20 -147.77 85.93 1.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.663 ' CG2' ' O ' ' A' ' 101' ' ' ILE . 1.7 tt -118.73 72.69 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.73 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 6.3 mt-30 157.95 55.85 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.253 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.73 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.4 Cg_endo -74.96 7.16 2.97 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.466 1.771 . . . . 0.0 111.024 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.726 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 0.4 OUTLIER 177.58 7.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.397 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.726 ' HB2' ' O ' ' A' ' 104' ' ' THR . 6.0 mt 105.47 32.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.345 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.83 ' HA ' ' CZ ' ' A' ' 138' ' ' PHE . 2.1 t -63.17 -82.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.568 ' N ' ' CG1' ' A' ' 106' ' ' VAL . 0.0 OUTLIER -53.34 -17.83 2.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.325 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.24 -50.49 70.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.338 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.797 HD22 ' CZ ' ' A' ' 138' ' ' PHE . 1.9 pp -62.38 -60.01 4.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.862 ' O ' ' CD2' ' A' ' 113' ' ' PHE . . . -48.57 -37.77 18.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -70.0 -23.1 63.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.775 ' CG ' ' O ' ' A' ' 109' ' ' LEU . 4.1 pt20 -55.26 -52.61 62.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.888 ' CZ ' ' HA ' ' A' ' 127' ' ' LEU . 1.5 p90 -67.94 -39.06 83.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 111.063 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.709 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 8.9 tmm? -55.04 65.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.724 ' N ' ' O ' ' A' ' 113' ' ' PHE . 19.6 p-10 -145.33 155.19 43.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.258 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 59.58 154.53 0.02 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.522 1.139 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.463 ' O ' ' HB3' ' A' ' 118' ' ' LEU . 13.7 p -85.03 10.47 11.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.75 . . . . 0.0 110.025 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.505 ' O ' ' CG ' ' A' ' 118' ' ' LEU . 0.9 OUTLIER -178.39 90.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.26 143.77 33.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.021 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 62.16 29.06 17.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 110.301 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.513 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 6.0 mp0 51.86 67.95 0.88 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.315 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.513 ' CB ' ' O ' ' A' ' 121' ' ' GLU . 5.4 m-20 154.48 106.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 109.264 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.455 ' CG ' ' O ' ' A' ' 117' ' ' SER . 0.0 OUTLIER -76.58 77.97 3.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.653 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER 166.72 -29.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.499 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 1.2 t30 -68.1 -40.29 82.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.503 ' HB2' ' HB2' ' A' ' 113' ' ' PHE . 2.6 p -49.99 -55.36 14.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 108.323 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.888 ' HA ' ' CZ ' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -51.32 -70.63 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -43.38 -29.62 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.499 ' HB2' ' O ' ' A' ' 125' ' ' ASN . 4.9 tttp -63.36 -28.05 69.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.824 ' HB3' ' CD2' ' A' ' 113' ' ' PHE . . . -72.36 -47.48 49.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.749 ' N ' ' CZ ' ' A' ' 177' ' ' PHE . 0.0 OUTLIER -40.8 -46.95 2.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.436 ' O ' ' HB ' ' A' ' 136' ' ' THR . 0.3 OUTLIER -68.85 -39.41 79.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.581 ' C ' HD23 ' A' ' 109' ' ' LEU . 9.0 mt-10 -67.86 -61.07 2.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.271 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.748 ' CG2' ' CE2' ' A' ' 138' ' ' PHE . 0.2 OUTLIER -43.28 -42.36 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . 0.591 ' O ' ' CD ' ' A' ' 139' ' ' PRO . 4.9 ttpt -72.55 -35.15 67.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.244 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' THR . . . . . 0.505 ' N ' ' O ' ' A' ' 133' ' ' GLU . 0.7 OUTLIER -56.95 -26.49 59.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.396 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.666 ' C ' ' HD3' ' A' ' 139' ' ' PRO . . . -102.42 -50.17 3.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 0.83 ' CZ ' ' HA ' ' A' ' 106' ' ' VAL . 0.0 OUTLIER -117.78 62.53 4.03 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.81 ' C ' ' HB2' ' A' ' 144' ' ' ASN . 18.4 Cg_endo -74.97 156.31 43.11 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.456 1.766 . . . . 0.0 111.031 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . 0.754 ' N ' ' CB ' ' A' ' 144' ' ' ASN . 21.9 mtt180 155.01 -169.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . 0.702 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 41.5 m-20 -89.44 -103.64 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' MET . . . . . 0.592 ' CB ' ' CE2' ' A' ' 185' ' ' TYR . 17.1 ptt? -61.69 -32.84 73.07 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . 0.499 ' O ' ' HB1' ' A' ' 147' ' ' ALA . 0.0 OUTLIER -68.2 -62.32 1.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.254 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . 0.81 ' HB2' ' C ' ' A' ' 139' ' ' PRO . 4.1 t30 -67.92 -59.29 3.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.702 ' CB ' ' O ' ' A' ' 141' ' ' ASP . 9.8 t70 -39.85 -52.89 2.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.552 ' O ' ' CG2' ' A' ' 150' ' ' ILE . 10.0 ttmt -66.75 -29.5 69.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.602 ' N ' ' O ' ' A' ' 144' ' ' ASN . . . -63.23 -59.61 4.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' MET . . . . . 0.664 ' HG3' ' N ' ' A' ' 149' ' ' LEU . 1.4 ptp -50.65 -44.51 57.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 110.965 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.664 ' N ' ' HG3' ' A' ' 148' ' ' MET . 0.5 OUTLIER -53.12 -43.64 67.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 0.0 109.269 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . 0.582 ' CG1' ' O ' ' A' ' 147' ' ' ALA . 0.6 OUTLIER -53.58 -31.51 19.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' MET . . . . . 1.094 ' O ' ' CD2' ' A' ' 155' ' ' LEU . 5.3 mmm -63.88 -54.68 30.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' THR . . . . . 0.892 ' OG1' ' O ' ' A' ' 173' ' ' THR . 0.6 OUTLIER -42.77 -52.53 4.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 110.387 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' MET . . . . . 0.542 ' N ' HG21 ' A' ' 152' ' ' THR . 10.8 ptt? -69.49 -25.47 64.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.675 ' C ' ' CD2' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -57.59 -51.75 68.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 1.094 ' CD2' ' O ' ' A' ' 151' ' ' MET . 0.0 OUTLIER -52.0 -57.43 9.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . 0.699 ' O ' ' N ' ' A' ' 160' ' ' ALA . . . -55.66 -53.88 51.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.506 ' HB2' ' O ' ' A' ' 153' ' ' MET . 0.0 OUTLIER -43.24 -54.21 4.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . 0.938 ' O ' ' N ' ' A' ' 162' ' ' HIS . 0.0 OUTLIER -78.53 -56.81 4.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.285 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . 0.766 ' N ' ' O ' ' A' ' 155' ' ' LEU . 49.1 t -49.6 -57.74 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . 0.699 ' N ' ' O ' ' A' ' 156' ' ' ALA . . . -32.65 -40.2 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 159' ' ' VAL . 0.4 OUTLIER -116.22 -12.19 11.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.976 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . 0.938 ' N ' ' O ' ' A' ' 158' ' ' LYS . 19.2 t60 -93.82 -49.37 5.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.566 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 0.61 ' H ' ' HA ' ' A' ' 159' ' ' VAL . . . -116.81 81.42 11.91 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -3.47 13.97 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.511 1.795 . . . . 0.0 111.017 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.19 -12.27 23.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.965 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . 0.555 ' O ' ' N ' ' A' ' 170' ' ' VAL . 10.6 mt -111.83 40.55 2.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . 0.753 ' N ' HD11 ' A' ' 167' ' ' LEU . 0.0 OUTLIER -51.33 -60.56 2.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . 0.752 ' H ' HD11 ' A' ' 167' ' ' LEU . 21.6 ptt180 -53.81 -45.72 70.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.278 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . 0.546 ' N ' ' CG ' ' A' ' 168' ' ' ARG . 0.3 OUTLIER -64.33 -37.72 88.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' VAL . . . . . 0.602 HG13 HD12 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -48.51 -55.52 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . 0.825 ' CE1' ' HB2' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -60.5 -48.04 83.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.085 . . . . 0.0 110.987 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' HIS . . . . . 0.58 ' CE1' ' HB3' ' A' ' 124' ' ' ARG . 22.1 t-160 -52.98 -36.21 59.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.629 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' THR . . . . . 0.969 ' CG2' ' HG ' ' A' ' 155' ' ' LEU . 93.3 m -58.62 -47.93 82.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.367 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' THR . . . . . 0.719 ' HA ' ' CG2' ' A' ' 152' ' ' THR . 16.1 p -61.64 -63.51 1.25 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 110.416 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' VAL . . . . . 0.88 ' CG2' ' HB ' ' A' ' 21' ' ' VAL . 2.3 t -70.12 8.43 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . 0.712 ' HB2' ' CD1' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -77.34 -59.32 2.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . 0.857 ' CE2' ' HB2' ' A' ' 151' ' ' MET . 2.6 m-30 -61.23 -52.88 62.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.97 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . 0.56 HD13 ' HA ' ' A' ' 175' ' ' VAL . 0.0 OUTLIER -56.46 -43.17 77.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.312 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . 0.632 ' CB ' ' O ' ' A' ' 175' ' ' VAL . 7.4 t-20 -63.86 -43.26 96.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.68 -23.51 53.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.282 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.573 ' N ' ' O ' ' A' ' 177' ' ' PHE . 4.5 t-20 -101.31 -154.35 0.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . 0.613 ' O ' ' N ' ' A' ' 184' ' ' SER . 0.0 OUTLIER -94.74 75.29 3.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.254 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 183' ' ' PHE . . . . . 0.7 ' CZ ' ' CG1' ' A' ' 16' ' ' ILE . 0.7 OUTLIER 22.17 -86.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.967 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 184' ' ' SER . . . . . 0.64 ' N ' ' CG ' ' A' ' 183' ' ' PHE . 2.2 t -116.01 113.5 23.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.024 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 185' ' ' TYR . . . . . 0.592 ' CE2' ' CB ' ' A' ' 142' ' ' MET . 68.1 t80 -44.29 -30.84 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.988 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 186' ' ' VAL . . . . . . . . . . . . . 48.4 t -72.05 -39.0 65.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 184' ' ' SER . 15.3 tpt180 -54.06 -53.83 47.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 110.309 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 188' ' ' ASN . . . . . 0.445 ' OD1' ' HA ' ' A' ' 185' ' ' TYR . 0.9 OUTLIER -61.93 -44.31 97.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 18.5 tp -54.1 -44.03 70.88 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 72.7 t -57.98 -46.23 87.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 3.5 mtt-85 -59.65 -50.99 71.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.254 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 26.5 m-20 -54.97 -48.78 72.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.62 158.64 35.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 194' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER 70.51 138.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 111.024 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.972 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 tpt . . . . . 0 N--CA 1.454 -0.257 0 CA-C-O 120.49 0.186 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -52.89 159.68 1.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.0 p -154.04 136.55 15.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.973 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -101.47 71.29 1.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.284 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.3 p -92.95 -29.34 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t 63.97 143.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.02 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -100.91 151.23 21.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.461 ' CA ' ' HG2' ' A' ' 73' ' ' GLU . . . -131.24 -118.64 2.01 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.84 179.24 6.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 0.78 . . . . 0.0 109.983 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.67 -179.13 16.63 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.501 1.126 . . . . 0.0 111.038 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.0 tt -73.88 -60.05 2.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.766 . . . . 0.0 109.28 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.05 46.97 0.53 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.444 1.09 . . . . 0.0 111.04 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -135.63 40.99 2.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 0.754 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.503 ' O ' ' HB ' ' A' ' 17' ' ' THR . 10.2 ptpt -179.9 -38.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.506 ' C ' ' H ' ' A' ' 17' ' ' THR . 30.6 m-70 -54.6 -38.88 67.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.613 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.2 tp -55.21 -8.92 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.27 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.609 HG21 HG11 ' A' ' 175' ' ' VAL . 1.2 m -51.79 -67.37 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.403 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -49.54 -37.25 26.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 23' ' ' GLY . 1.0 OUTLIER -58.33 -31.33 67.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.616 ' CD2' ' CD2' ' A' ' 90' ' ' LEU . 1.0 OUTLIER -66.61 -45.28 79.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.959 ' HB ' HG23 ' A' ' 175' ' ' VAL . 0.4 OUTLIER -62.76 -61.38 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.842 ' CD2' ' HA3' ' A' ' 39' ' ' GLY . 1.6 t80 -62.67 -31.47 72.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 111.011 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -74.33 -37.08 48.61 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 1.13 ' CE2' ' HA ' ' A' ' 91' ' ' ALA . 0.5 OUTLIER -57.8 -59.75 4.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 0.792 . . . . 0.0 110.955 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.783 HD21 ' CZ ' ' A' ' 171' ' ' PHE . 9.6 tp -54.81 -42.03 71.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.63 -29.89 71.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.264 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.519 ' CB ' ' O ' ' A' ' 88' ' ' ARG . 10.8 t -50.04 -59.8 3.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.019 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.05 -44.92 5.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.016 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.579 ' N ' ' O ' ' A' ' 25' ' ' LEU . . . 91.53 89.53 1.42 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.517 ' SG ' ' O ' ' A' ' 160' ' ' ALA . 0.5 OUTLIER -80.03 -59.93 2.53 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.73 ' CB ' ' HB2' ' A' ' 34' ' ' GLU . 1.0 OUTLIER -141.87 119.57 11.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.581 1.176 . . . . 0.0 110.417 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -44.65 -59.43 2.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.56 ' O ' ' HB ' ' A' ' 37' ' ' VAL . 64.0 tt0 -59.34 -25.78 64.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.251 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.73 ' HB2' ' CB ' ' A' ' 31' ' ' THR . 2.2 mt-10 -67.85 -62.9 1.2 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.774 ' CD2' ' CD1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -47.53 -39.67 16.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.451 ' O ' ' O ' ' A' ' 40' ' ' ARG . 3.0 tm-20 -70.16 -48.27 58.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.593 ' CG1' ' N ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -67.32 -55.33 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 1.005 ' HB3' ' CG ' ' A' ' 171' ' ' PHE . 11.8 mt -66.82 -45.48 78.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.842 ' HA3' ' CD2' ' A' ' 22' ' ' PHE . . . -52.15 -47.1 55.89 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.551 1.157 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.451 ' O ' ' O ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER 175.39 131.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 0.78 . . . . 0.0 110.28 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -107.67 139.44 42.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 110.288 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -100.38 125.97 37.58 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -164.41 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.553 1.817 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.1 p -42.74 160.01 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.565 1.166 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 64.24 49.28 2.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.262 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.46 ' O ' ' C ' ' A' ' 47' ' ' TYR . . . -168.91 79.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.489 ' O ' ' C ' ' A' ' 48' ' ' TRP . 14.8 t80 -33.05 101.81 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.489 ' C ' ' O ' ' A' ' 47' ' ' TYR . 24.9 p-90 -34.74 128.0 0.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 108.02 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.508 ' O ' ' CB ' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -45.06 159.25 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.32 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 49' ' ' GLU . . . 161.49 59.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.571 1.169 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 0.4 OUTLIER -178.01 162.7 1.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' A' ' 51' ' ' ASP . 1.9 tp 178.86 60.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -172.04 69.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.324 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -147.2 156.39 42.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -156.56 120.7 4.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 110.258 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.87 171.77 8.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.4 tm0? -175.0 104.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.411 ' CG2' ' N ' ' A' ' 59' ' ' ASP . 4.9 t -86.42 -45.75 10.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.387 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.411 ' N ' ' CG2' ' A' ' 58' ' ' THR . 23.0 t70 -178.4 169.27 1.81 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 172.38 94.72 0.1 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 62.9 p -141.7 78.86 1.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 0.76 . . . . 0.0 110.045 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.31 120.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.276 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -157.3 71.44 0.65 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.15 . . . . 0.0 109.243 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 94.1 p -111.28 107.55 16.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.03 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.53 ' O ' ' CB ' ' A' ' 66' ' ' SER . 1.7 mtt180 -152.06 -57.3 0.14 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.546 1.154 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.53 ' CB ' ' O ' ' A' ' 65' ' ' ARG . 0.9 OUTLIER 156.39 103.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.007 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 34.1 p90 -104.13 157.42 17.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 111.002 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 177.55 90.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -63.63 156.39 26.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -94.94 58.51 1.77 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -95.18 -166.91 1.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 110.242 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.405 ' CG2' ' N ' ' A' ' 73' ' ' GLU . 12.6 mm -61.02 164.79 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.461 ' HG2' ' CA ' ' A' ' 8' ' ' GLY . 3.0 tt0 -124.05 76.35 59.02 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -165.48 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.499 1.789 . . . . 0.0 111.025 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -93.09 88.67 6.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.5 t -171.14 154.59 4.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.998 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.489 ' O ' ' CB ' ' A' ' 78' ' ' SER . 2.3 tm-20 -168.62 61.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 77' ' ' GLU . 0.5 OUTLIER 160.71 161.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.999 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -174.83 44.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.258 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -176.8 94.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.271 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 177.15 -174.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.572 1.17 . . . . 0.0 110.281 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 22.9 mm -84.56 -20.28 8.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.401 ' O ' HG21 ' A' ' 86' ' ' ILE . 0.6 OUTLIER -52.2 -51.27 32.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.257 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.417 ' O ' ' HB1' ' A' ' 87' ' ' ALA . 41.2 m80 -57.07 -39.66 75.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.598 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.443 ' O ' ' CG ' ' A' ' 88' ' ' ARG . 4.0 t-20 -53.1 -45.36 68.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.466 HG21 ' N ' ' A' ' 87' ' ' ALA . 0.7 OUTLIER -62.51 -39.45 84.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.646 ' O ' ' HB2' ' A' ' 90' ' ' LEU . . . -53.43 -55.33 26.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.519 ' O ' ' CB ' ' A' ' 27' ' ' SER . 13.0 ptm180 -66.69 -37.84 85.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 0.0 110.31 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.574 ' CE1' HD13 ' A' ' 93' ' ' ILE . 18.6 t-160 -53.99 -23.22 12.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.61 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.646 ' HB2' ' O ' ' A' ' 87' ' ' ALA . 0.4 OUTLIER -59.17 -62.08 2.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 1.13 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . . . -53.96 -53.9 46.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.272 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -48.47 -34.08 10.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.331 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.574 HD13 ' CE1' ' A' ' 89' ' ' HIS . 20.6 mt -71.44 -31.29 42.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 91' ' ' ALA . . . -60.24 -52.87 50.09 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -60.95 -52.35 65.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 0.739 . . . . 0.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -61.92 -39.22 91.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.283 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.565 ' SD ' ' CZ ' ' A' ' 107' ' ' ARG . 6.3 mmt -50.9 -43.95 59.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 111.035 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.455 ' HA ' ' CD1' ' A' ' 101' ' ' ILE . 16.5 t70 -38.17 -30.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.466 ' N ' ' C ' ' A' ' 97' ' ' MET . 57.1 t60 -49.52 -42.61 44.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.598 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.446 ' O ' ' NE ' ' A' ' 107' ' ' ARG . 4.8 m-80 -145.49 88.76 1.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.567 ' O ' ' CB ' ' A' ' 102' ' ' GLN . 10.5 mt -116.38 71.95 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.904 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 0.0 OUTLIER 154.67 51.19 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 110.294 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.904 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.4 Cg_endo -75.0 74.77 3.9 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.507 1.793 . . . . 0.0 111.028 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.695 ' O ' ' CB ' ' A' ' 105' ' ' LEU . 3.2 m 92.4 4.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 110.424 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.695 ' CB ' ' O ' ' A' ' 104' ' ' THR . 3.9 tt 105.45 26.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.746 HG23 ' CG ' ' A' ' 138' ' ' PHE . 1.3 t -71.6 -83.02 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.651 ' N ' ' CG1' ' A' ' 106' ' ' VAL . 5.1 mtt-85 -54.03 -17.0 2.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -67.96 -49.43 61.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.322 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.843 ' CD1' ' N ' ' A' ' 110' ' ' ALA . 0.6 OUTLIER -55.3 -55.2 34.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.316 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.973 ' O ' ' CD2' ' A' ' 113' ' ' PHE . . . -48.02 -40.96 24.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.332 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.11 -23.24 67.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.246 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.754 ' CG ' ' O ' ' A' ' 109' ' ' LEU . 5.5 pt20 -56.43 -52.67 63.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 110.332 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.973 ' CD2' ' O ' ' A' ' 110' ' ' ALA . 2.7 p90 -66.28 -38.99 89.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.988 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.716 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 9.2 tpt -51.13 78.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.62 ' N ' ' O ' ' A' ' 113' ' ' PHE . 23.8 p30 -145.61 -162.32 1.49 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 115' ' ' ASN . . . 49.79 177.47 0.02 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.445 ' C ' ' CD2' ' A' ' 118' ' ' LEU . 0.5 OUTLIER -156.35 73.41 0.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 0.792 . . . . 0.0 109.987 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.445 ' CD2' ' C ' ' A' ' 117' ' ' SER . 1.5 mm? 73.32 89.47 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.483 ' O ' ' CB ' ' A' ' 120' ' ' GLU . 8.2 t -124.45 116.71 22.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.024 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.563 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 2.2 tt0 84.5 -32.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.253 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.563 ' CB ' ' O ' ' A' ' 120' ' ' GLU . 3.1 mm-40 154.56 54.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.312 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.452 ' CB ' ' O ' ' A' ' 121' ' ' GLU . 12.0 t0 78.85 152.1 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 124' ' ' ARG . 0.0 OUTLIER -89.12 -100.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.604 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 0.5 OUTLIER 85.5 -36.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.582 ' O ' ' CB ' ' A' ' 129' ' ' LYS . 7.6 p30 -69.43 -40.59 77.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.552 ' O ' ' CG ' ' A' ' 113' ' ' PHE . 22.4 p -53.41 -52.83 58.1 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 108.333 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.885 ' HA ' ' CE1' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -57.32 -69.59 0.16 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -49.45 -29.52 6.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.582 ' CB ' ' O ' ' A' ' 125' ' ' ASN . 0.6 OUTLIER -63.06 -28.67 70.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.826 ' HB3' ' CD2' ' A' ' 113' ' ' PHE . . . -68.25 -49.53 60.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.697 ' HA ' ' HE1' ' A' ' 177' ' ' PHE . 0.4 OUTLIER -41.13 -45.45 2.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.573 ' O ' ' CG2' ' A' ' 136' ' ' THR . 2.2 m-20 -66.23 -41.29 90.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.769 ' O ' ' OG1' ' A' ' 136' ' ' THR . 2.7 mm-40 -69.22 -60.75 2.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.292 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.817 HG21 ' CD2' ' A' ' 138' ' ' PHE . 0.2 OUTLIER -44.99 -33.66 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . 0.664 ' O ' ' CD ' ' A' ' 139' ' ' PRO . 0.0 OUTLIER -75.86 -45.44 35.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' THR . . . . . 0.769 ' OG1' ' O ' ' A' ' 133' ' ' GLU . 25.4 p -53.83 -24.28 15.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.414 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.71 ' HB1' ' CE1' ' A' ' 138' ' ' PHE . . . -100.74 -52.32 3.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 0.817 ' CD2' HG21 ' A' ' 134' ' ' VAL . 0.0 OUTLIER -118.25 62.5 4.68 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 111.012 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.772 ' C ' ' HB2' ' A' ' 144' ' ' ASN . 18.5 Cg_endo -75.0 154.48 42.52 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.529 1.805 . . . . 0.0 111.017 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . 0.745 ' N ' ' CB ' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 157.45 -168.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . 0.681 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 68.9 m-20 -88.89 -103.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' MET . . . . . 0.438 ' O ' ' CB ' ' A' ' 146' ' ' LYS . 1.8 mpt? -62.86 -32.02 73.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -67.98 -62.45 1.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . 0.772 ' HB2' ' C ' ' A' ' 139' ' ' PRO . 3.6 t30 -66.85 -57.03 7.81 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.681 ' CB ' ' O ' ' A' ' 141' ' ' ASP . 81.8 m-20 -41.04 -52.23 3.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 142' ' ' MET . 18.8 ttpt -65.86 -31.19 71.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.556 ' N ' ' O ' ' A' ' 144' ' ' ASN . . . -61.55 -57.25 12.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' MET . . . . . 0.507 ' CG ' HG23 ' A' ' 134' ' ' VAL . 73.9 mtm -50.51 -54.52 21.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 0.0 111.006 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.472 ' O ' ' SD ' ' A' ' 153' ' ' MET . 0.5 OUTLIER -54.46 -41.82 69.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -51.65 -32.59 14.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' MET . . . . . 1.131 ' O ' ' HG ' ' A' ' 154' ' ' LEU . 4.3 mmt -62.73 -55.14 29.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' THR . . . . . 0.831 ' OG1' ' O ' ' A' ' 173' ' ' THR . 0.6 OUTLIER -39.68 -46.38 1.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 110.397 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' MET . . . . . 0.623 ' O ' ' HB3' ' A' ' 157' ' ' LYS . 2.5 mpp? -70.27 -26.64 63.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 1.131 ' HG ' ' O ' ' A' ' 151' ' ' MET . 0.4 OUTLIER -64.36 -43.79 93.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 109.311 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.94 ' HG ' ' CG2' ' A' ' 173' ' ' THR . 0.6 OUTLIER -52.82 -60.87 2.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . 0.696 ' O ' ' N ' ' A' ' 160' ' ' ALA . . . -61.48 -53.82 51.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.248 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.667 ' HA ' ' HB2' ' A' ' 161' ' ' SER . 1.1 tptt -48.14 -39.62 21.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . 0.646 ' O ' ' CB ' ' A' ' 162' ' ' HIS . 1.9 mmtt -68.83 -52.78 26.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . 0.948 ' O ' ' N ' ' A' ' 163' ' ' ALA . 0.2 OUTLIER -99.21 -70.9 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . 0.696 ' N ' ' O ' ' A' ' 156' ' ' ALA . . . -32.75 -32.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' SER . . . . . 0.667 ' HB2' ' HA ' ' A' ' 157' ' ' LYS . 0.1 OUTLIER -99.21 -13.41 19.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.998 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . 0.936 ' N ' ' O ' ' A' ' 159' ' ' VAL . 8.1 t-80 -124.35 -36.05 2.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.598 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 0.948 ' N ' ' O ' ' A' ' 159' ' ' VAL . . . -115.79 76.65 6.02 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' PRO . . . . . 0.492 ' HD3' ' C ' ' A' ' 162' ' ' HIS . 18.2 Cg_endo -75.0 43.78 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.488 1.783 . . . . 0.0 110.946 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' SER . . . . . 0.414 ' H ' ' C ' ' A' ' 163' ' ' ALA . 8.2 t -136.74 33.85 2.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 109.988 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . 0.488 ' CB ' ' HB ' ' A' ' 170' ' ' VAL . 6.8 mt -118.6 117.76 29.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . 0.59 ' CD2' HG11 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -64.37 -142.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.256 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . 0.637 ' O ' ' CB ' ' A' ' 172' ' ' HIS . 0.7 OUTLIER -56.4 -8.58 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.31 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . 0.462 ' H ' ' C ' ' A' ' 167' ' ' LEU . 53.2 m-20 -59.47 -58.48 8.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' VAL . . . . . 0.513 ' CG1' ' N ' ' A' ' 171' ' ' PHE . 0.4 OUTLIER -65.24 -52.87 47.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . 1.005 ' CG ' ' HB3' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -54.81 -43.35 72.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 172' ' ' HIS . . . . . 0.637 ' CB ' ' O ' ' A' ' 168' ' ' ARG . 8.6 t-80 -60.59 -35.51 76.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.566 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 173' ' ' THR . . . . . 0.94 ' CG2' ' HG ' ' A' ' 155' ' ' LEU . 78.3 m -54.63 -58.5 7.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.419 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 174' ' ' THR . . . . . 0.862 HG21 ' O ' ' A' ' 171' ' ' PHE . 0.5 OUTLIER -55.36 -58.68 6.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.416 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 175' ' ' VAL . . . . . 0.959 HG23 ' HB ' ' A' ' 21' ' ' VAL . 0.9 OUTLIER -71.38 4.53 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . 0.865 ' HB3' ' O ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -80.73 -58.15 3.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . 0.726 ' CZ ' ' HB2' ' A' ' 151' ' ' MET . 5.4 m-85 -56.96 -51.07 70.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 111.031 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . 0.581 ' CD1' ' N ' ' A' ' 179' ' ' ASN . 0.1 OUTLIER -54.83 -46.28 75.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . 0.814 ' OD1' ' N ' ' A' ' 180' ' ' GLN . 0.6 OUTLIER -62.24 -35.39 78.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 180' ' ' GLN . . . . . 0.814 ' N ' ' OD1' ' A' ' 179' ' ' ASN . 79.5 mm-40 -56.19 -103.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 110.322 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.407 ' C ' HD11 ' A' ' 182' ' ' LEU . 63.0 t30 -124.81 4.04 8.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . 0.47 ' CD1' ' HE1' ' A' ' 148' ' ' MET . 0.3 OUTLIER -96.63 15.08 22.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.263 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 183' ' ' PHE . . . . . 0.706 ' O ' ' CG ' ' A' ' 183' ' ' PHE . 0.2 OUTLIER -35.63 113.58 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 184' ' ' SER . . . . . 0.464 ' C ' ' O ' ' A' ' 183' ' ' PHE . 52.3 m 34.75 75.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.971 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 185' ' ' TYR . . . . . 0.415 ' C ' ' O ' ' A' ' 184' ' ' SER . 2.3 t80 -36.7 -50.36 0.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 186' ' ' VAL . . . . . . . . . . . . . 14.7 p -56.65 -48.66 80.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 184' ' ' SER . 4.6 tpt180 -54.54 -44.58 72.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 188' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -53.15 -44.29 67.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 6.6 mt -56.78 -50.92 70.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . 0.446 HG11 ' O ' ' A' ' 187' ' ' ARG . 0.4 OUTLIER -56.61 -47.84 81.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 191' ' ' ARG . . . . . 0.444 ' N ' ' CG1' ' A' ' 190' ' ' VAL . 0.0 OUTLIER -55.33 -45.58 76.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -54.63 -49.25 70.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 51.81 -161.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 194' ' ' MET . . . . . . . . . . . . . 2.3 tmm? -136.95 77.91 1.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 111.022 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 15.7 t70 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.984 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.546 ' O ' ' CB ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.465 0.174 . . . . 0.0 111.044 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.546 ' CB ' ' O ' ' A' ' 1' ' ' MET . 0.1 OUTLIER 85.21 14.48 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -49.09 -60.79 2.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.057 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -107.24 159.12 16.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 32.6 m -129.22 166.76 26.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.353 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -159.96 92.15 1.0 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.034 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 26.1 p30 -163.5 149.09 11.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 122.29 79.01 0.48 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.453 1.096 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.7 t -132.06 96.95 4.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 109.964 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -89.71 123.68 7.04 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.502 1.126 . . . . 0.0 111.015 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.96 149.72 36.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 0.761 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -52.95 143.86 24.26 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.55 1.156 . . . . 0.0 111.011 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.418 ' O ' ' HD3' ' A' ' 14' ' ' LYS . . . -67.51 173.03 4.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.778 . . . . 0.0 109.35 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.418 ' HD3' ' O ' ' A' ' 13' ' ' ALA . 28.9 mmtt -133.99 113.76 12.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 63.6 t60 -62.96 -49.79 73.36 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.559 1.162 . . . . 0.0 109.607 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.575 ' CG2' ' CE2' ' A' ' 183' ' ' PHE . 0.2 OUTLIER -53.85 -51.38 45.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.637 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 3.5 m -53.59 -46.61 70.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.364 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.99 -40.06 21.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.3 OUTLIER -67.42 -27.79 67.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.637 ' HB3' ' O ' ' A' ' 17' ' ' THR . 1.4 tm? -63.81 -44.95 91.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.837 ' HB ' ' CG2' ' A' ' 175' ' ' VAL . 0.5 OUTLIER -61.47 -62.23 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.982 ' CD2' HD22 ' A' ' 35' ' ' LEU . 10.6 t80 -61.09 -33.93 74.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -77.29 -35.65 37.08 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.496 1.123 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 1.059 ' CE2' ' HA ' ' A' ' 91' ' ' ALA . 2.2 t80 -51.83 -58.85 5.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 0.79 . . . . 0.0 110.982 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.757 ' HB2' ' CE1' ' A' ' 171' ' ' PHE . 0.3 OUTLIER -58.0 -43.36 86.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -54.17 -31.95 54.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.513 ' OG ' ' HG2' ' A' ' 88' ' ' ARG . 25.8 t -69.04 -97.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 110.034 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.501 ' N ' ' HG ' ' A' ' 27' ' ' SER . 0.8 OUTLIER -140.96 20.06 2.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.572 1.17 . . . . 0.0 109.993 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.61 ' HA3' ' CE1' ' A' ' 24' ' ' PHE . . . -58.0 -108.66 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.435 1.084 . . . . 0.0 110.988 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.446 ' H ' ' CD1' ' A' ' 25' ' ' LEU . 33.0 t -84.36 -96.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.512 ' O ' ' N ' ' A' ' 34' ' ' GLU . 7.4 m -141.88 151.31 42.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.411 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.581 ' O ' HD11 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -42.61 -54.67 3.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 110.343 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.425 ' O ' ' HB ' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -58.67 -26.1 63.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.544 ' CG ' HD22 ' A' ' 25' ' ' LEU . 2.9 tp10 -66.54 -56.88 8.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 110.314 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.982 HD22 ' CD2' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -44.27 -39.33 4.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.366 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.61 ' N ' ' CD1' ' A' ' 35' ' ' LEU . 27.8 tt0 -77.62 -40.16 42.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.633 ' CG1' ' N ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -61.29 -57.73 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 1.06 ' HB2' ' CD2' ' A' ' 171' ' ' PHE . 8.4 mt -72.49 -39.26 67.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.766 ' HA3' ' CD1' ' A' ' 22' ' ' PHE . . . -50.7 -52.21 30.4 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.5 1.125 . . . . 0.0 111.048 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.435 ' HD3' ' CE1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER 174.41 139.63 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 0.772 . . . . 0.0 110.25 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -140.11 98.35 3.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.445 ' CD1' ' HD2' ' A' ' 43' ' ' PRO . 3.0 mm? -101.31 141.34 22.41 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.466 ' O ' ' N ' ' A' ' 45' ' ' GLN . 18.3 Cg_endo -75.02 173.08 15.12 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.538 1.809 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.452 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 8.6 p -55.91 87.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 43' ' ' PRO . 0.0 OUTLIER 166.33 43.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.319 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 47' ' ' TYR . . . 179.66 176.96 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.505 ' O ' ' HB2' ' A' ' 48' ' ' TRP . 53.9 t80 -33.93 124.23 0.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.423 1.077 . . . . 0.0 110.963 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.505 ' HB2' ' O ' ' A' ' 47' ' ' TYR . 2.5 t90 176.72 -60.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 108.006 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.527 ' O ' ' CB ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER 77.02 -179.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.527 ' CB ' ' O ' ' A' ' 49' ' ' GLU . . . 160.66 97.66 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -44.42 153.31 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -178.78 76.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -118.79 171.97 7.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 110.312 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -122.9 107.88 12.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -127.1 138.9 53.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.333 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 tp -167.44 -65.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 65.87 102.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.9 t -93.34 129.57 39.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.411 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -173.1 122.92 0.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.98 -160.26 54.0 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.52 1.138 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 83.1 p -87.93 168.07 13.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 109.99 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.419 ' NE2' ' NH1' ' A' ' 65' ' ' ARG . 1.5 tp60 -169.71 124.61 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.322 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.65 -65.98 0.61 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.25 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.0 p -177.21 163.79 2.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.982 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.46 ' O ' ' CB ' ' A' ' 66' ' ' SER . 1.7 mtp180 -146.52 164.59 32.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 65' ' ' ARG . 0.3 OUTLIER 162.98 164.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 110.02 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -155.26 162.46 40.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 37.4 m-20 -132.04 152.38 51.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.157 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.87 170.63 17.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 110.285 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -136.85 172.42 22.59 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -121.84 106.74 11.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 0.786 . . . . 0.0 110.303 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 21.1 mm -118.38 150.45 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.335 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -98.23 114.11 64.79 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.348 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 160.25 40.25 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.48 1.779 . . . . 0.0 111.009 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -75.17 117.58 17.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.3 p -68.07 171.02 7.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.986 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -152.66 173.25 15.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.3 p -113.37 171.42 7.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.999 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -89.11 177.85 6.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.272 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.58 92.53 4.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -168.82 150.44 4.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 110.332 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 9.0 mt -88.52 -42.65 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.413 ' O ' HG21 ' A' ' 86' ' ' ILE . 46.8 mm -53.74 -56.95 6.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.562 ' CE1' HD12 ' A' ' 16' ' ' ILE . 95.8 m-70 -54.16 -36.5 63.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.576 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -55.56 -45.92 77.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.435 HG21 ' N ' ' A' ' 87' ' ' ALA . 1.8 tp -62.55 -35.4 69.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.602 ' O ' ' HB2' ' A' ' 90' ' ' LEU . . . -54.8 -47.53 73.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.513 ' HG2' ' OG ' ' A' ' 27' ' ' SER . 2.0 ttm-85 -65.02 -51.99 58.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.118 . . . . 0.0 110.312 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -59.35 -14.3 11.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.607 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.602 ' HB2' ' O ' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -63.35 -68.07 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 1.059 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . . . -52.42 -52.54 53.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -49.57 -32.1 11.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 110.315 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.483 ' O ' ' HB2' ' A' ' 97' ' ' MET . 0.3 OUTLIER -69.03 -35.74 70.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -60.57 -51.65 57.41 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.452 1.095 . . . . 0.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.411 ' HA ' ' HE2' ' A' ' 157' ' ' LYS . 22.0 t70 -56.81 -51.79 67.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 0.768 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' A' ' 99' ' ' HIS . 2.4 mm-40 -63.45 -38.48 91.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.483 ' HB2' ' O ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -50.63 -38.4 45.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.471 ' HB2' ' CE ' ' A' ' 157' ' ' LYS . 28.6 t70 -47.47 -50.73 22.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.428 ' HB2' ' O ' ' A' ' 96' ' ' GLU . 0.8 OUTLIER -43.25 -37.94 2.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.576 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 97' ' ' MET . 0.4 OUTLIER -146.88 87.14 1.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.638 ' CG2' ' O ' ' A' ' 101' ' ' ILE . 0.1 OUTLIER -132.92 97.73 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.155 . . . . 0.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.949 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 6.4 mt-30 158.94 47.48 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.949 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.2 Cg_endo -74.99 71.21 5.08 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.5 1.79 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.657 ' CB ' ' O ' ' A' ' 103' ' ' PRO . 3.5 m 93.93 5.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.44 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.651 ' CB ' ' O ' ' A' ' 104' ' ' THR . 0.3 OUTLIER 101.14 28.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.81 ' CG2' ' CD2' ' A' ' 138' ' ' PHE . 0.9 OUTLIER -62.33 -70.56 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.526 ' N ' ' CG1' ' A' ' 106' ' ' VAL . 0.0 OUTLIER -50.8 -40.6 55.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.498 ' HB3' ' CD2' ' A' ' 105' ' ' LEU . 2.8 tp60 -62.4 -26.07 68.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.694 ' CD1' ' N ' ' A' ' 110' ' ' ALA . 0.9 OUTLIER -64.13 -73.46 0.12 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 1.07 ' O ' ' CD2' ' A' ' 113' ' ' PHE . . . -50.31 -34.15 22.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.06 -26.03 65.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 109' ' ' LEU . 0.5 OUTLIER -53.13 -60.11 3.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.281 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 1.07 ' CD2' ' O ' ' A' ' 110' ' ' ALA . 4.3 p90 -57.36 -42.7 82.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 111.052 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.638 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -52.14 85.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.577 1.173 . . . . 0.0 111.022 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 113' ' ' PHE . 11.4 m-20 -141.76 -69.59 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -93.53 173.59 34.08 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.639 ' O ' ' HB2' ' A' ' 118' ' ' LEU . 0.4 OUTLIER -84.49 -91.47 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 0.77 . . . . 0.0 109.958 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.639 ' HB2' ' O ' ' A' ' 117' ' ' SER . 3.1 tm? 170.23 -72.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.556 ' O ' ' N ' ' A' ' 121' ' ' GLU . 27.0 t -142.34 178.67 7.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 110.035 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.473 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 2.7 mm-40 -45.19 -13.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.433 1.083 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.556 ' N ' ' O ' ' A' ' 119' ' ' SER . 0.1 OUTLIER 162.47 74.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.288 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.52 ' O ' ' CD1' ' A' ' 118' ' ' LEU . 18.9 t70 -161.11 60.17 0.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.422 ' O ' ' CB ' ' A' ' 124' ' ' ARG . 0.1 OUTLIER -92.15 140.64 29.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.574 ' HA ' ' CD1' ' A' ' 127' ' ' LEU . 9.3 ttt-85 163.12 -30.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.324 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.542 ' O ' ' CB ' ' A' ' 129' ' ' LYS . 15.2 m120 -69.96 -44.93 68.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.349 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.615 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 0.5 OUTLIER -52.83 -56.76 13.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 108.314 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.665 ' HA ' ' CZ ' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -54.9 -70.11 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -47.4 -30.67 3.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.615 ' HB2' ' O ' ' A' ' 126' ' ' CYS . 38.7 mttt -58.81 -31.61 68.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.869 ' HB3' ' CD2' ' A' ' 113' ' ' PHE . . . -73.44 -45.26 55.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.708 ' N ' ' CZ ' ' A' ' 177' ' ' PHE . 0.3 OUTLIER -42.19 -44.85 3.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.937 ' O ' ' HB ' ' A' ' 136' ' ' THR . 1.2 m-20 -68.08 -50.53 54.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.476 ' HB3' ' CD2' ' A' ' 109' ' ' LEU . 0.3 OUTLIER -54.81 -61.18 2.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.773 HG21 ' CE2' ' A' ' 138' ' ' PHE . 0.2 OUTLIER -52.92 -40.43 36.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' A' ' 135' ' ' LYS . 0.1 OUTLIER -85.06 11.06 10.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' THR . . . . . 0.937 ' HB ' ' O ' ' A' ' 132' ' ' ASP . 0.6 OUTLIER -126.14 -16.91 5.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.392 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.537 ' C ' ' HD3' ' A' ' 139' ' ' PRO . . . -101.57 -51.68 3.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 0.81 ' CD2' ' CG2' ' A' ' 106' ' ' VAL . 0.1 OUTLIER -125.39 59.8 27.1 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 111.038 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.537 ' HD3' ' C ' ' A' ' 137' ' ' ALA . 18.4 Cg_endo -74.92 159.9 41.04 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.485 1.782 . . . . 0.0 111.019 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . 0.835 ' C ' ' ND2' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 172.48 -142.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 110.275 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . 0.643 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 81.9 m-20 -108.72 -103.89 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' MET . . . . . 0.494 ' CB ' ' OH ' ' A' ' 185' ' ' TYR . 6.6 ttm -70.17 -31.9 69.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' A' ' 146' ' ' LYS . 5.9 tt0 -66.76 -60.59 2.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . 0.958 ' ND2' ' H ' ' A' ' 145' ' ' ASP . 0.1 OUTLIER -65.81 -53.6 37.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.958 ' H ' ' ND2' ' A' ' 144' ' ' ASN . 36.0 m-20 -40.83 -55.76 2.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.434 ' HG3' ' N ' ' A' ' 147' ' ' ALA . 5.6 ptpt -62.68 -31.81 72.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.532 ' O ' ' SD ' ' A' ' 151' ' ' MET . . . -61.14 -55.04 36.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' MET . . . . . 0.7 ' HA ' ' HG2' ' A' ' 151' ' ' MET . 1.2 mtp -49.43 -55.37 13.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.448 HD12 ' CD1' ' A' ' 90' ' ' LEU . 7.2 tt -53.95 -44.04 70.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.575 1.172 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . 0.467 ' CG2' HD13 ' A' ' 101' ' ' ILE . 50.8 mt -53.72 -31.95 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' MET . . . . . 0.801 ' HB2' ' CE2' ' A' ' 177' ' ' PHE . 0.1 OUTLIER -56.05 -56.0 26.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' THR . . . . . 0.937 ' HB ' ' HA ' ' A' ' 174' ' ' THR . 27.7 p -56.21 -52.07 65.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 110.396 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' MET . . . . . 0.582 ' N ' ' HG1' ' A' ' 152' ' ' THR . 10.4 mmt -65.98 -21.39 66.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.77 ' C ' ' CD2' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -60.79 -60.44 3.79 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.701 ' H ' HD11 ' A' ' 155' ' ' LEU . 4.9 mp -50.35 -46.22 55.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . 1.143 ' O ' ' O ' ' A' ' 159' ' ' VAL . . . -62.55 -54.09 45.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.477 ' CD ' ' C ' ' A' ' 157' ' ' LYS . 0.1 OUTLIER -46.32 -50.85 15.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . 0.641 ' O ' ' N ' ' A' ' 163' ' ' ALA . 18.5 ptmt -74.62 -52.74 10.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . 1.143 ' O ' ' O ' ' A' ' 156' ' ' ALA . 87.7 t -92.97 159.47 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . 0.543 ' HB1' ' CB ' ' A' ' 170' ' ' VAL . . . 64.62 -53.75 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' SER . . . . . 0.591 ' N ' ' O ' ' A' ' 159' ' ' VAL . 0.1 OUTLIER -86.18 -11.08 53.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.021 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . 0.622 ' CB ' ' O ' ' A' ' 158' ' ' LYS . 0.0 OUTLIER -148.55 -36.06 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.597 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 0.708 ' CB ' ' HA ' ' A' ' 159' ' ' VAL . . . -113.67 94.65 33.66 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 58.77 4.98 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.529 1.805 . . . . 0.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 75.6 p -102.88 -69.25 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.003 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -124.05 63.87 1.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.338 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . 0.847 ' C ' HD23 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -50.64 -28.85 9.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . 0.702 ' N ' HD11 ' A' ' 167' ' ' LEU . 0.1 OUTLIER -62.64 -50.6 70.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . 0.641 ' N ' ' HG3' ' A' ' 168' ' ' ARG . 6.8 t70 -65.98 -33.41 75.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' VAL . . . . . 0.647 HG22 ' CG1' ' A' ' 159' ' ' VAL . 1.0 OUTLIER -56.79 -65.36 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . 1.06 ' CD2' ' HB2' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -48.51 -52.38 22.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 172' ' ' HIS . . . . . 0.651 ' O ' ' OD1' ' A' ' 176' ' ' ASN . 1.9 t60 -65.15 -24.49 67.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 109.587 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 173' ' ' THR . . . . . 1.255 ' C ' ' OD1' ' A' ' 176' ' ' ASN . 1.4 m -76.32 -7.32 54.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.398 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 174' ' ' THR . . . . . 0.999 ' OG1' ' O ' ' A' ' 171' ' ' PHE . 0.6 OUTLIER -94.58 -58.42 2.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 110.417 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 175' ' ' VAL . . . . . 0.837 ' CG2' ' HB ' ' A' ' 21' ' ' VAL . 5.0 t -75.18 26.03 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.339 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . 1.255 ' OD1' ' C ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -85.96 -65.64 0.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.295 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . 0.801 ' CE2' ' HB2' ' A' ' 151' ' ' MET . 2.3 m-30 -61.27 -53.82 51.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.542 1.151 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . 0.572 ' HB ' ' CG2' ' A' ' 17' ' ' THR . 1.5 mt -52.28 -43.39 39.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . 0.623 ' N ' HG23 ' A' ' 17' ' ' THR . 6.7 t-20 -66.28 -38.55 88.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 180' ' ' GLN . . . . . 0.578 ' O ' ' O ' ' A' ' 179' ' ' ASN . 1.5 tt0 -41.37 -104.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.27 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.447 ' CB ' ' NE2' ' A' ' 180' ' ' GLN . 58.9 t30 -129.81 3.44 4.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . 0.605 ' CD2' ' CE ' ' A' ' 148' ' ' MET . 0.8 OUTLIER -93.49 16.36 13.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.342 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 183' ' ' PHE . . . . . 0.575 ' CE2' ' CG2' ' A' ' 16' ' ' ILE . 49.2 t80 -29.0 95.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 110.997 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 184' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 187' ' ' ARG . 3.9 t 58.14 88.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.994 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 185' ' ' TYR . . . . . 0.497 ' C ' ' CD1' ' A' ' 185' ' ' TYR . 0.3 OUTLIER -35.56 -44.03 0.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 186' ' ' VAL . . . . . . . . . . . . . 43.9 t -56.46 -52.42 52.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . 0.482 ' N ' ' O ' ' A' ' 184' ' ' SER . 8.3 tpt180 -54.77 -44.11 73.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 188' ' ' ASN . . . . . 0.502 ' O ' ' HG3' ' A' ' 191' ' ' ARG . 0.1 OUTLIER -53.43 -40.04 64.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 9.8 tp -65.69 -43.97 87.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.25 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 73.5 t -60.35 -57.09 13.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 109.299 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 191' ' ' ARG . . . . . 0.502 ' HG3' ' O ' ' A' ' 188' ' ' ASN . 0.0 OUTLIER -60.72 -43.71 97.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 192' ' ' ASN . . . . . 0.488 ' N ' ' CD ' ' A' ' 191' ' ' ARG . 35.2 t-20 -54.62 -44.36 73.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -62.21 149.18 42.43 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 110.298 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 194' ' ' MET . . . . . 0.416 ' SD ' ' N ' ' A' ' 195' ' ' ASP . 0.0 OUTLIER -39.7 124.03 1.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.99 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 195' ' ' ASP . . . . . 0.416 ' N ' ' SD ' ' A' ' 194' ' ' MET . 1.5 p30 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.486 0.184 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -179.14 155.57 0.73 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.92 162.26 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.003 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -178.77 154.64 0.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.2 p -171.83 150.7 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.56 157.33 0.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.002 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 176.98 162.69 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 159.33 136.78 2.1 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.531 1.144 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.5 p -150.56 158.54 44.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 110.021 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.75 125.09 0.74 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.509 1.13 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -174.99 154.48 1.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 0.789 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.42 150.22 5.24 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.5 1.125 . . . . 0.0 111.041 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -92.57 -47.67 7.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 0.771 . . . . 0.0 109.351 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.451 ' O ' ' HB ' ' A' ' 17' ' ' THR . 1.0 OUTLIER -71.67 68.92 0.62 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.547 1.154 . . . . 0.0 109.273 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -62.89 -43.99 97.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.61 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.551 ' HB ' ' CZ ' ' A' ' 183' ' ' PHE . 15.3 mm -55.1 -40.52 55.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.523 HG21 ' CG1' ' A' ' 175' ' ' VAL . 1.1 m -55.48 -75.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.356 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.433 ' N ' HG21 ' A' ' 17' ' ' THR . 1.0 OUTLIER -49.78 -34.69 20.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.557 ' O ' ' N ' ' A' ' 23' ' ' GLY . 1.2 tp -58.02 -33.58 69.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.661 ' CD2' ' CD2' ' A' ' 90' ' ' LEU . 1.0 OUTLIER -65.55 -43.39 90.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.816 ' HB ' ' CG2' ' A' ' 175' ' ' VAL . 0.5 OUTLIER -62.99 -62.96 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.727 ' CE1' ' HB3' ' A' ' 35' ' ' LEU . 3.6 t80 -64.65 -30.89 71.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 111.023 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.557 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -72.24 -41.88 51.87 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 1.063 ' CE2' ' HA ' ' A' ' 91' ' ' ALA . 0.3 OUTLIER -53.89 -52.46 60.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 0.724 . . . . 0.0 111.014 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.967 HD23 ' CE1' ' A' ' 171' ' ' PHE . 3.0 tp -56.24 -43.21 78.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.502 ' CB ' HD22 ' A' ' 35' ' ' LEU . 0.4 OUTLIER -55.51 -36.62 66.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.269 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.546 ' OG ' ' O ' ' A' ' 88' ' ' ARG . 0.2 OUTLIER -60.38 -62.3 1.96 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.579 ' O ' ' C ' ' A' ' 29' ' ' GLY . 0.5 OUTLIER -142.5 -71.58 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.967 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.579 ' C ' ' O ' ' A' ' 28' ' ' SER . . . 21.35 -120.47 0.01 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.536 1.148 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.685 ' HB3' ' CB ' ' A' ' 34' ' ' GLU . 44.7 t -99.28 -110.37 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.495 ' H ' ' HB2' ' A' ' 34' ' ' GLU . 15.3 t -141.85 175.98 9.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.416 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.456 ' HA ' HD11 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -47.18 -52.95 14.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 110.277 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.16 -32.05 15.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.265 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.685 ' CB ' ' HB3' ' A' ' 30' ' ' CYS . 0.7 OUTLIER -67.75 -53.3 28.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.789 ' HG ' ' HB3' ' A' ' 25' ' ' LEU . 6.4 mp -44.94 -37.25 3.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -65.76 -49.43 68.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.559 ' CG1' HD21 ' A' ' 167' ' ' LEU . 2.0 t -63.85 -60.52 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.817 ' HB3' ' CG ' ' A' ' 171' ' ' PHE . 9.0 mt -64.98 -45.71 84.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.664 ' HA3' ' O ' ' A' ' 35' ' ' LEU . . . -49.73 -45.19 39.39 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.526 1.141 . . . . 0.0 110.979 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -52.69 99.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 0.771 . . . . 0.0 110.277 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -138.34 141.9 39.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.336 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.425 ' CD1' ' HD2' ' A' ' 43' ' ' PRO . 3.3 mm? -99.1 141.51 22.99 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.425 ' HD2' ' CD1' ' A' ' 42' ' ' LEU . 18.5 Cg_endo -74.95 59.64 5.2 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.461 1.769 . . . . 0.0 111.068 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.504 ' O ' ' CB ' ' A' ' 45' ' ' GLN . 1.3 p -57.45 -163.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.504 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 5.6 mt-30 160.45 127.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.27 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.468 ' O ' ' C ' ' A' ' 47' ' ' TYR . . . -128.14 160.84 30.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.627 ' O ' ' CG ' ' A' ' 48' ' ' TRP . 19.6 t80 -32.33 -66.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 111.017 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.627 ' CG ' ' O ' ' A' ' 47' ' ' TYR . 3.9 m0 151.94 -176.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 108.015 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.46 ' O ' ' CB ' ' A' ' 50' ' ' ALA . 2.7 mm-40 -152.38 -172.98 4.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.242 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.46 ' CB ' ' O ' ' A' ' 49' ' ' GLU . . . 165.91 166.76 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 2.8 p-10 -178.25 169.17 1.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 51' ' ' ASP . 1.3 tp 178.48 147.13 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -147.19 -54.88 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 110.315 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 68.78 161.96 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 175.85 157.67 0.23 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.341 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -145.08 165.62 27.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.9 119.54 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.3 p -87.47 -170.87 3.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 110.404 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 167.03 156.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 171.02 168.79 33.23 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 110.969 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.42 -72.39 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 110.036 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -173.98 119.4 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.332 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -168.0 -71.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 92.0 p 53.6 40.23 31.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.013 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.564 ' O ' ' CB ' ' A' ' 66' ' ' SER . 6.3 mtt85 -138.48 92.9 2.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 110.281 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.564 ' CB ' ' O ' ' A' ' 65' ' ' ARG . 0.6 OUTLIER 154.92 143.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.004 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -128.26 -177.08 4.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.429 ' O ' ' CB ' ' A' ' 69' ' ' GLN . 0.9 OUTLIER -157.15 170.28 22.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.255 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.429 ' CB ' ' O ' ' A' ' 68' ' ' ASN . 1.5 mm-40 165.92 162.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 153.27 104.31 0.25 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.521 1.138 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 -121.38 95.29 4.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 0.787 . . . . 0.0 110.279 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 7.5 pt -113.15 148.62 15.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -146.81 87.58 6.26 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.282 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 170.96 19.28 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.482 1.78 . . . . 0.0 111.013 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -179.58 133.49 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.142 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.4 p 173.22 -175.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.0 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -176.49 156.48 1.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 110.287 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.68 152.37 0.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.99 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.405 ' O ' ' CB ' ' A' ' 80' ' ' GLU . 13.9 mt-30 -155.24 167.96 28.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.312 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.405 ' CB ' ' O ' ' A' ' 79' ' ' GLN . 0.2 OUTLIER 166.95 -171.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 110.254 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.0 -16.91 64.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 110.331 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 7.9 pt -67.8 -9.13 10.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.409 ' O ' HG21 ' A' ' 86' ' ' ILE . 2.4 tt -50.86 -48.5 28.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.512 ' CB ' HD23 ' A' ' 19' ' ' LEU . 13.5 m-70 -62.47 -47.25 84.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.613 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -51.67 -42.35 62.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.499 ' CG1' ' HB3' ' A' ' 189' ' ' LEU . 0.8 OUTLIER -61.51 -39.8 84.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.596 ' O ' ' HB2' ' A' ' 90' ' ' LEU . . . -50.32 -47.65 55.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.546 ' O ' ' OG ' ' A' ' 27' ' ' SER . 1.0 OUTLIER -66.0 -37.07 84.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.519 ' CD2' HG12 ' A' ' 93' ' ' ILE . 13.0 t-80 -54.18 -25.24 21.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.621 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.661 ' CD2' ' CD2' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -55.54 -63.52 1.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 1.063 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . . . -55.76 -56.19 23.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.93 -31.81 7.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.519 HG12 ' CD2' ' A' ' 89' ' ' HIS . 1.0 OUTLIER -70.53 -31.41 46.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.608 ' HA2' ' CE ' ' A' ' 153' ' ' MET . . . -61.73 -52.59 49.71 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.124 . . . . 0.0 110.965 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -58.97 -52.58 65.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 0.751 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.43 -38.74 90.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.482 ' HB3' ' CD1' ' A' ' 101' ' ' ILE . 2.8 mmt -50.54 -41.64 54.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 97' ' ' MET . 39.0 t0 -38.92 -29.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.478 ' N ' ' C ' ' A' ' 97' ' ' MET . 62.7 t60 -39.14 -64.1 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.597 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -144.21 89.66 2.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.733 ' CG2' ' O ' ' A' ' 101' ' ' ILE . 1.5 tt -128.44 84.7 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.842 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 0.8 OUTLIER 151.72 54.12 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.842 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.3 Cg_endo -74.98 10.07 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.508 1.794 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.719 ' O ' ' CB ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER 165.96 4.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.349 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.719 ' CB ' ' O ' ' A' ' 104' ' ' THR . 0.8 OUTLIER 108.77 39.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.766 ' HA ' ' CZ ' ' A' ' 138' ' ' PHE . 1.8 t -69.4 -83.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.614 ' N ' ' CG1' ' A' ' 106' ' ' VAL . 0.8 OUTLIER -52.95 -29.95 31.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.299 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.534 ' HB3' ' HG ' ' A' ' 105' ' ' LEU . 1.9 tt0 -65.55 -32.12 73.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.274 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 1.012 HD11 ' C ' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -64.17 -58.89 5.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 1.17 ' O ' ' CD2' ' A' ' 113' ' ' PHE . . . -47.83 -49.2 29.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.504 ' CA ' HD13 ' A' ' 154' ' ' LEU . . . -62.6 -19.79 64.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.813 ' NE2' HD11 ' A' ' 109' ' ' LEU . 3.2 pt20 -57.76 -48.0 80.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.27 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 1.17 ' CD2' ' O ' ' A' ' 110' ' ' ALA . 3.8 p90 -64.93 -38.61 91.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.74 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 8.4 ttp -48.35 118.23 2.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -110.48 -152.49 0.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.36 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -114.1 -40.09 1.0 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 118' ' ' LEU . 0.3 OUTLIER -156.91 70.18 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 0.765 . . . . 0.0 110.0 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.472 HD11 ' CB ' ' A' ' 122' ' ' ASP . 0.2 OUTLIER -37.62 -63.23 0.47 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.624 ' C ' ' H ' ' A' ' 121' ' ' GLU . 0.6 OUTLIER -142.08 72.04 1.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.007 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.554 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 31.9 mt-10 68.59 -24.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.285 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.624 ' H ' ' C ' ' A' ' 119' ' ' SER . 0.6 OUTLIER 155.63 64.06 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 0.0 110.307 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.472 ' CB ' HD11 ' A' ' 118' ' ' LEU . 3.1 m-20 -129.57 51.58 2.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.506 ' CB ' ' OD1' ' A' ' 169' ' ' ASP . 0.0 OUTLIER -87.6 83.87 7.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.588 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 54.1 mtt-85 -143.3 -49.97 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.34 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.473 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 60.8 t30 -70.53 -39.71 73.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 17.6 m -50.62 -56.52 11.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 108.316 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.864 ' HA ' ' CZ ' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -50.58 -67.37 0.26 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.128 . . . . 0.0 109.285 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -45.77 -30.65 1.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' A' ' 125' ' ' ASN . 0.5 OUTLIER -63.51 -26.31 68.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.713 ' HB3' ' CD2' ' A' ' 113' ' ' PHE . . . -72.02 -48.68 42.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.694 ' N ' ' CZ ' ' A' ' 177' ' ' PHE . 0.2 OUTLIER -42.53 -44.96 4.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.477 ' O ' ' CG2' ' A' ' 136' ' ' THR . 0.2 OUTLIER -67.39 -40.65 85.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.893 ' O ' ' OG1' ' A' ' 136' ' ' THR . 56.8 mt-10 -68.91 -62.87 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 110.335 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.839 HG21 ' CD2' ' A' ' 138' ' ' PHE . 0.1 OUTLIER -42.45 -33.53 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . 0.573 ' O ' ' CD ' ' A' ' 139' ' ' PRO . 0.0 OUTLIER -75.39 -42.76 53.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' THR . . . . . 0.893 ' OG1' ' O ' ' A' ' 133' ' ' GLU . 22.8 p -52.18 -28.13 17.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.437 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.687 ' HB1' ' CE1' ' A' ' 138' ' ' PHE . . . -102.42 -52.73 3.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 0.931 ' CZ ' HD22 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -120.58 69.29 16.01 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.757 ' CA ' ' HB2' ' A' ' 144' ' ' ASN . 18.3 Cg_endo -75.01 -172.89 1.38 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.467 1.772 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . 0.729 ' CB ' ' O ' ' A' ' 139' ' ' PRO . 1.3 mtm-85 107.1 -174.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . 0.728 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 0.1 OUTLIER -91.17 -98.77 0.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' MET . . . . . 0.746 ' N ' ' HH ' ' A' ' 185' ' ' TYR . 0.0 OUTLIER -48.15 -33.94 9.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 111.001 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . 0.675 ' O ' ' HB1' ' A' ' 147' ' ' ALA . 0.5 OUTLIER -71.92 -66.72 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.261 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . 0.788 ' HB2' ' O ' ' A' ' 138' ' ' PHE . 0.7 OUTLIER -73.26 -58.55 3.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.728 ' CB ' ' O ' ' A' ' 141' ' ' ASP . 10.4 t0 -34.84 -52.46 0.54 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.64 -36.8 70.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.675 ' HB1' ' O ' ' A' ' 143' ' ' GLU . . . -63.06 -57.29 11.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' MET . . . . . 0.86 ' HG3' ' N ' ' A' ' 149' ' ' LEU . 0.1 OUTLIER -50.75 -47.08 59.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.86 ' N ' ' HG3' ' A' ' 148' ' ' MET . 1.0 OUTLIER -54.26 -39.19 66.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . 0.608 ' CG2' ' CD1' ' A' ' 101' ' ' ILE . 42.1 mt -59.56 -33.56 52.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.336 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' MET . . . . . 0.752 ' HB2' ' CE2' ' A' ' 177' ' ' PHE . 2.3 mmm -55.84 -54.15 48.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' THR . . . . . 0.887 ' CG2' ' CG ' ' A' ' 177' ' ' PHE . 30.9 p -54.13 -52.45 61.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.413 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' MET . . . . . 0.608 ' CE ' ' HA2' ' A' ' 94' ' ' GLY . 6.5 tmm? -60.68 -29.65 69.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 0.0 111.038 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.791 ' C ' ' CD2' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -55.12 -55.7 28.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.348 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.738 HD22 ' CE1' ' A' ' 113' ' ' PHE . 4.8 mp -51.07 -47.03 61.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . 1.1 ' O ' ' O ' ' A' ' 159' ' ' VAL . . . -65.14 -53.73 40.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.66 -51.95 11.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . 0.863 ' O ' ' N ' ' A' ' 163' ' ' ALA . 28.8 mmmt -76.01 -51.31 12.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . 1.1 ' O ' ' O ' ' A' ' 156' ' ' ALA . 48.0 t -92.59 154.38 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . 0.561 ' HB2' HG12 ' A' ' 170' ' ' VAL . . . 69.77 -48.91 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' SER . . . . . 0.466 ' H ' ' C ' ' A' ' 159' ' ' VAL . 0.3 OUTLIER -93.85 -8.44 40.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.994 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . 0.57 ' CB ' ' O ' ' A' ' 158' ' ' LYS . 0.2 OUTLIER -153.88 -36.27 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.596 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 0.863 ' N ' ' O ' ' A' ' 158' ' ' LYS . . . -112.6 97.34 40.32 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 45.58 1.37 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.46 1.769 . . . . 0.0 110.982 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 1.2 m -103.8 -34.05 8.69 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.96 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . 0.527 ' O ' ' HB ' ' A' ' 170' ' ' VAL . 0.1 OUTLIER -133.87 92.42 2.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . 0.811 ' CD2' HD22 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -75.68 -80.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.319 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . 0.624 ' HA ' ' HA ' ' A' ' 38' ' ' LEU . 2.8 ptt180 -53.85 -38.76 65.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 0.0 110.329 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . 0.506 ' OD1' ' CB ' ' A' ' 123' ' ' LYS . 0.3 OUTLIER -60.16 -42.02 94.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' VAL . . . . . 0.588 HG23 ' C ' ' A' ' 159' ' ' VAL . 1.1 t -53.32 -56.33 8.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . 0.967 ' CE1' HD23 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -51.22 -53.85 31.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 172' ' ' HIS . . . . . 0.55 ' O ' ' CB ' ' A' ' 176' ' ' ASN . 37.0 t-80 -51.42 -26.43 7.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.625 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 173' ' ' THR . . . . . 0.823 ' O ' ' HB3' ' A' ' 176' ' ' ASN . 1.0 OUTLIER -61.25 -59.08 5.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.414 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 174' ' ' THR . . . . . 0.576 ' HA ' ' CB ' ' A' ' 152' ' ' THR . 31.0 p -54.65 -57.79 10.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.388 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 175' ' ' VAL . . . . . 0.816 ' CG2' ' HB ' ' A' ' 21' ' ' VAL . 2.9 t -75.58 9.7 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . 0.823 ' HB3' ' O ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -79.64 -55.64 4.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . 0.887 ' CG ' ' CG2' ' A' ' 152' ' ' THR . 4.1 m-30 -64.62 -53.85 41.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . 0.547 ' CD1' ' HA ' ' A' ' 175' ' ' VAL . 0.0 OUTLIER -54.22 -47.07 68.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . 0.556 ' CB ' ' O ' ' A' ' 175' ' ' VAL . 9.8 t-20 -65.35 -39.75 92.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 38.1 mm-40 -78.61 -6.91 56.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.085 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 177' ' ' PHE . 5.0 t-20 -94.72 -140.08 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . 0.475 ' HG ' ' OD1' ' A' ' 181' ' ' ASN . 0.0 OUTLIER -89.59 -39.16 13.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 183' ' ' PHE . . . . . 0.551 ' CZ ' ' HB ' ' A' ' 16' ' ' ILE . 12.5 t80 -178.21 -54.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 184' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 186' ' ' VAL . 2.2 t 167.8 129.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.997 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 185' ' ' TYR . . . . . 0.746 ' HH ' ' N ' ' A' ' 142' ' ' MET . 2.1 t80 -68.69 56.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 186' ' ' VAL . . . . . 0.409 ' N ' ' O ' ' A' ' 184' ' ' SER . 1.1 p -81.63 -39.71 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.248 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.75 -53.08 59.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 188' ' ' ASN . . . . . 0.69 ' CB ' ' CZ ' ' A' ' 185' ' ' TYR . 3.1 t30 -64.27 -49.31 72.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . 0.539 ' CD1' ' O ' ' A' ' 185' ' ' TYR . 13.6 mt -52.02 -44.51 64.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 14.4 t -58.17 -45.07 88.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 191' ' ' ARG . . . . . 0.41 ' NH2' ' OD2' ' A' ' 195' ' ' ASP . 3.3 tpm_? -61.7 -44.48 96.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -57.34 -51.31 69.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 193' ' ' GLU . . . . . 0.476 ' O ' ' CB ' ' A' ' 194' ' ' MET . 0.2 OUTLIER -67.13 97.55 0.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 194' ' ' MET . . . . . 0.476 ' CB ' ' O ' ' A' ' 193' ' ' GLU . 2.3 ttt 79.2 175.57 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 195' ' ' ASP . . . . . 0.41 ' OD2' ' NH2' ' A' ' 191' ' ' ARG . 1.2 m-20 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.249 0 CA-C-O 120.51 0.195 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -113.69 171.85 7.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 p -143.71 -178.23 5.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.023 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -128.21 172.28 11.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.416 HG12 ' N ' ' A' ' 6' ' ' SER . 1.1 p -97.21 -171.36 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.416 ' N ' HG12 ' A' ' 5' ' ' VAL . 10.7 t -89.48 -72.34 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.03 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 24.6 t30 -173.12 -177.61 1.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 166.27 125.71 0.79 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.467 1.104 . . . . 0.0 111.027 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.7 p -136.88 171.4 14.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 0.77 . . . . 0.0 109.979 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 120.89 127.58 3.46 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -172.16 179.25 2.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 0.77 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -150.13 166.46 29.98 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.449 1.093 . . . . 0.0 111.054 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 60.58 157.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 0.769 . . . . 0.0 109.326 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.8 mptt 43.32 46.28 5.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 23.1 t-80 -60.1 -52.31 65.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 109.563 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.582 HD12 ' CE1' ' A' ' 84' ' ' HIS . 0.2 OUTLIER -55.77 -51.39 60.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.672 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 1.7 m -52.72 -45.54 67.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 110.398 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -49.63 -43.04 46.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.528 ' O ' ' N ' ' A' ' 23' ' ' GLY . 1.9 mm? -66.99 -25.36 66.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.765 HD12 ' CD2' ' A' ' 90' ' ' LEU . 0.1 OUTLIER -64.85 -49.23 71.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.831 ' CG2' ' O ' ' A' ' 171' ' ' PHE . 0.4 OUTLIER -61.58 -60.16 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.169 . . . . 0.0 109.318 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.762 ' CD2' ' HA3' ' A' ' 39' ' ' GLY . 3.2 t80 -61.83 -32.76 73.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 111.014 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -75.05 -36.86 45.0 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.545 1.153 . . . . 0.0 110.961 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 1.071 ' CE2' ' HA ' ' A' ' 91' ' ' ALA . 0.7 OUTLIER -53.41 -57.68 9.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 0.776 . . . . 0.0 111.028 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.85 HD23 ' CE1' ' A' ' 171' ' ' PHE . 1.5 tp -57.41 -44.44 84.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.604 ' HG3' ' N ' ' A' ' 27' ' ' SER . 0.1 OUTLIER -54.76 -31.13 58.22 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.604 ' N ' ' HG3' ' A' ' 26' ' ' GLN . 30.9 t -72.0 -93.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.034 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.07 55.15 1.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.029 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -99.82 -87.1 1.93 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 111.053 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.486 ' CB ' ' HG2' ' A' ' 34' ' ' GLU . 32.6 t -115.66 -102.07 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.423 ' N ' ' SG ' ' A' ' 30' ' ' CYS . 19.2 p -141.1 162.6 35.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.428 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.598 ' O ' HD21 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -49.25 -57.23 7.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -54.88 -26.58 36.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.299 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.61 ' CG ' HD22 ' A' ' 25' ' ' LEU . 3.9 tp10 -68.45 -55.67 11.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.276 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.756 ' N ' HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -48.64 -31.07 6.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.614 ' N ' ' CD2' ' A' ' 35' ' ' LEU . 1.4 tt0 -69.38 -48.33 61.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.61 ' CG1' ' N ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -66.01 -56.67 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 109.323 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.704 ' HB3' ' CG ' ' A' ' 171' ' ' PHE . 18.0 mt -66.16 -42.4 89.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.762 ' HA3' ' CD2' ' A' ' 22' ' ' PHE . . . -48.76 -43.66 29.94 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.77 113.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.75 . . . . 0.0 110.307 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.412 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 0.4 OUTLIER -142.17 137.64 30.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.347 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -101.16 106.95 48.01 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.152 . . . . 0.0 109.269 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.412 ' HD3' ' O ' ' A' ' 41' ' ' GLU . 18.4 Cg_endo -74.97 151.81 40.13 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.465 1.771 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.541 ' O ' ' CB ' ' A' ' 45' ' ' GLN . 69.3 t -45.89 -56.4 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.541 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 2.8 mt-30 156.78 -178.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 110.313 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 47' ' ' TYR . . . -125.47 143.82 50.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.505 ' O ' ' C ' ' A' ' 48' ' ' TRP . 61.7 t80 -33.63 148.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 111.034 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.505 ' C ' ' O ' ' A' ' 47' ' ' TYR . 82.2 m95 -35.0 -84.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.148 . . . . 0.0 107.983 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 170.61 -52.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.333 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.488 ' O ' ' CB ' ' A' ' 51' ' ' ASP . . . 60.85 -90.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.488 ' CB ' ' O ' ' A' ' 50' ' ' ALA . 11.1 t0 81.74 112.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.467 ' C ' ' O ' ' A' ' 51' ' ' ASP . 1.5 tt -34.86 145.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -96.19 -33.79 11.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.341 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.1 t0 54.65 48.7 19.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.353 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 41.88 67.51 0.56 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.274 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -169.51 90.4 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -116.97 55.34 0.83 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -153.4 101.39 2.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.387 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -178.87 -63.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 45.08 84.94 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.21 113.3 4.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 0.78 . . . . 0.0 110.021 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.0 tp60 -176.18 145.1 0.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.279 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -169.29 173.9 6.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -143.77 -175.55 4.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.011 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.27 -66.9 0.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.261 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.1 p 72.18 160.32 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.995 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 178.82 -160.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 111.052 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.7 m120 61.55 152.15 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -163.18 -175.49 4.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -149.39 135.56 5.4 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.462 1.101 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.21 102.56 3.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 0.784 . . . . 0.0 110.326 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.8 pp -140.31 127.55 23.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.115 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -87.19 123.87 69.31 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.267 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 144.82 30.76 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.519 1.799 . . . . 0.0 111.039 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.82 -65.58 1.0 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 24.8 p -170.03 167.3 8.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.98 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.443 ' O ' ' CB ' ' A' ' 78' ' ' SER . 0.5 OUTLIER -46.53 -61.23 1.91 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.443 ' CB ' ' O ' ' A' ' 77' ' ' GLU . 1.3 m 80.81 -63.94 0.18 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.995 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.402 ' C ' ' N ' ' A' ' 81' ' ' GLU . 0.5 OUTLIER 73.42 -57.53 0.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.329 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -43.13 -28.01 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' ' 79' ' ' GLN . 1.3 mm-40 -39.83 138.75 0.73 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.5 pp -100.45 -23.11 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.253 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.464 HG13 ' N ' ' A' ' 84' ' ' HIS . 9.8 pt -53.67 -54.79 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.582 ' CE1' HD12 ' A' ' 16' ' ' ILE . 85.1 m-70 -60.03 -30.87 69.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.618 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -55.6 -46.92 77.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.346 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.529 ' C ' ' CD1' ' A' ' 86' ' ' ILE . 0.3 OUTLIER -63.18 -37.39 79.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.342 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.59 ' O ' ' HB2' ' A' ' 90' ' ' LEU . . . -51.98 -48.18 64.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.497 ' CB ' ' HB2' ' A' ' 27' ' ' SER . 0.6 OUTLIER -65.44 -43.08 91.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.581 ' CE1' HD12 ' A' ' 93' ' ' ILE . 85.8 t60 -60.46 -13.42 13.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.618 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.765 ' CD2' HD12 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -63.67 -63.91 1.04 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 1.071 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . . . -57.85 -54.29 48.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.503 ' HG3' ' N ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -47.99 -37.05 13.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.269 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.581 HD12 ' CE1' ' A' ' 89' ' ' HIS . 4.9 mm -70.77 -31.69 46.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.5 ' N ' ' SD ' ' A' ' 153' ' ' MET . . . -57.82 -53.96 41.13 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.465 1.103 . . . . 0.0 111.032 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -64.63 -45.68 85.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 0.0 109.296 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -58.18 -47.4 83.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.483 ' HB2' ' O ' ' A' ' 93' ' ' ILE . 3.1 tpt -57.78 -36.06 71.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.5 ' HA ' ' CD1' ' A' ' 101' ' ' ILE . 28.1 t0 -38.78 -30.45 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.459 ' N ' ' C ' ' A' ' 97' ' ' MET . 55.2 t-80 -36.84 -69.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.596 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -146.06 87.95 1.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.536 ' CG2' ' HB2' ' A' ' 107' ' ' ARG . 6.1 mt -98.03 76.49 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.809 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 2.1 mt-30 161.18 52.63 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.312 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.809 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.2 Cg_endo -75.03 -19.79 17.43 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.534 1.807 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.879 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 40.8 p -152.01 8.0 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.404 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.879 ' HB2' ' O ' ' A' ' 104' ' ' THR . 0.3 OUTLIER 104.76 30.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 1.039 ' O ' ' CD1' ' A' ' 109' ' ' LEU . 1.0 OUTLIER -65.87 -56.3 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.319 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.791 ' O ' ' CB ' ' A' ' 111' ' ' ALA . 0.1 OUTLIER -69.73 -14.86 63.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.337 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.419 ' O ' ' N ' ' A' ' 112' ' ' GLN . 2.5 tm0? -63.22 -65.48 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.279 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 1.039 ' CD1' ' O ' ' A' ' 106' ' ' VAL . 0.0 OUTLIER -56.04 -58.74 6.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.995 ' HA ' ' HB3' ' A' ' 130' ' ' ALA . . . -50.2 -54.2 22.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.791 ' CB ' ' O ' ' A' ' 107' ' ' ARG . . . -63.21 -18.76 63.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.786 ' HG2' ' N ' ' A' ' 113' ' ' PHE . 0.4 OUTLIER -61.3 -49.27 77.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 110.291 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.897 ' CE1' HD11 ' A' ' 127' ' ' LEU . 2.1 p90 -68.43 -36.13 78.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.83 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -48.12 -20.22 0.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 111.039 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.402 ' N ' ' HG3' ' A' ' 114' ' ' MET . 39.2 t30 -132.91 58.0 1.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.415 ' H ' ' NZ ' ' A' ' 123' ' ' LYS . . . -59.6 -107.75 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.473 1.108 . . . . 0.0 111.022 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 28.2 t -151.66 -44.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 0.745 . . . . 0.0 110.005 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -40.23 -76.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.634 ' O ' ' N ' ' A' ' 121' ' ' GLU . 0.4 OUTLIER -144.83 170.74 15.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.03 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.559 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 20.3 mt-10 -40.61 -16.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.634 ' N ' ' O ' ' A' ' 119' ' ' SER . 0.0 OUTLIER 155.96 62.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.444 ' OD1' HD12 ' A' ' 166' ' ' LEU . 1.0 OUTLIER -120.71 42.05 3.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.416 ' HD2' ' SG ' ' A' ' 126' ' ' CYS . 0.0 OUTLIER -122.99 -30.38 3.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.93 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.612 ' O ' ' CD2' ' A' ' 127' ' ' LEU . 7.0 mmt85 70.35 -54.8 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.626 ' O ' ' N ' ' A' ' 129' ' ' LYS . 4.9 p30 -55.56 -27.43 49.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.459 ' O ' ' CG ' ' A' ' 113' ' ' PHE . 0.8 OUTLIER -46.63 -56.92 5.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 108.324 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.897 HD11 ' CE1' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -54.73 -57.11 12.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.587 ' N ' ' OD1' ' A' ' 176' ' ' ASN . . . -57.37 -27.58 62.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.626 ' N ' ' O ' ' A' ' 125' ' ' ASN . 2.9 ttpt -59.0 -33.13 70.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.995 ' HB3' ' HA ' ' A' ' 110' ' ' ALA . . . -71.53 -39.09 70.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.364 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.622 ' O ' ' CB ' ' A' ' 135' ' ' LYS . 0.2 OUTLIER -47.42 -51.55 19.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.498 ' HA ' ' CE ' ' A' ' 135' ' ' LYS . 2.4 m-20 -72.24 -51.28 21.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.627 ' O ' ' OG1' ' A' ' 136' ' ' THR . 4.8 mm-40 -70.28 -61.4 1.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.912 ' N ' ' O ' ' A' ' 130' ' ' ALA . 0.3 OUTLIER -49.26 -22.05 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.092 . . . . 0.0 109.276 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . 0.694 ' O ' ' CD ' ' A' ' 139' ' ' PRO . 7.7 ttpt -75.55 -46.95 28.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' THR . . . . . 0.627 ' OG1' ' O ' ' A' ' 133' ' ' GLU . 67.2 p -43.42 -24.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.385 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.739 ' C ' ' HD3' ' A' ' 139' ' ' PRO . . . -90.13 -48.05 7.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 0.729 ' CD1' ' N ' ' A' ' 138' ' ' PHE . 0.0 OUTLIER -118.12 53.48 1.69 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 111.01 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.739 ' HD3' ' C ' ' A' ' 137' ' ' ALA . 18.4 Cg_endo -75.01 121.0 6.3 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.44 1.758 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . 0.594 ' CB ' ' HB2' ' A' ' 144' ' ' ASN . 2.8 tpt180 175.32 -152.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . 0.697 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 2.3 m-20 -105.39 -148.24 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' MET . . . . . 0.592 ' HA ' ' CZ ' ' A' ' 185' ' ' TYR . 4.3 ptt? -45.12 -27.11 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.949 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -74.8 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.252 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . 0.861 HD21 ' N ' ' A' ' 144' ' ' ASN . 0.8 OUTLIER -79.76 -45.06 19.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.697 ' CB ' ' O ' ' A' ' 141' ' ' ASP . 51.0 t0 -36.69 -46.03 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.668 ' CB ' ' OH ' ' A' ' 185' ' ' TYR . 0.6 OUTLIER -50.82 -33.24 22.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.706 ' N ' ' O ' ' A' ' 144' ' ' ASN . . . -57.89 -57.77 11.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' MET . . . . . 0.62 ' HG3' ' N ' ' A' ' 149' ' ' LEU . 0.1 OUTLIER -53.48 -46.66 70.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 111.01 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.62 ' N ' ' HG3' ' A' ' 148' ' ' MET . 8.6 tp -59.8 -42.25 93.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . 0.517 ' O ' ' CG ' ' A' ' 153' ' ' MET . 2.0 mt -50.33 -30.68 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' MET . . . . . 1.124 ' O ' HD23 ' A' ' 155' ' ' LEU . 2.4 mmm -63.85 -48.42 76.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 110.977 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' THR . . . . . 0.953 ' O ' HD21 ' A' ' 155' ' ' LEU . 0.6 OUTLIER -46.65 -50.44 17.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.446 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' MET . . . . . 0.562 ' SD ' ' CG2' ' A' ' 93' ' ' ILE . 11.3 ptp -71.53 -20.9 61.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.974 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.711 ' HB3' ' O ' ' A' ' 151' ' ' MET . 0.0 OUTLIER -59.72 -58.31 9.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 1.124 HD23 ' O ' ' A' ' 151' ' ' MET . 0.0 OUTLIER -52.35 -60.64 2.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . 0.616 ' O ' ' CB ' ' A' ' 160' ' ' ALA . . . -54.1 -44.61 71.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.485 ' CB ' ' O ' ' A' ' 153' ' ' MET . 19.0 tptt -47.83 -59.11 3.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . 0.91 ' O ' ' N ' ' A' ' 162' ' ' HIS . 0.0 OUTLIER -78.63 -56.56 4.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . 0.677 ' N ' ' O ' ' A' ' 155' ' ' LEU . 59.4 t -42.35 -51.51 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . 0.616 ' CB ' ' O ' ' A' ' 156' ' ' ALA . . . -31.86 -49.59 0.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.15 -10.07 9.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.016 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . 0.91 ' N ' ' O ' ' A' ' 158' ' ' LYS . 5.7 t60 -87.45 -44.95 10.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.605 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 0.617 ' H ' ' HA ' ' A' ' 159' ' ' VAL . . . -119.89 68.19 12.13 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' PRO . . . . . 0.584 ' HD3' ' C ' ' A' ' 162' ' ' HIS . 18.2 Cg_endo -74.98 45.59 1.37 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.54 1.811 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' SER . . . . . 0.435 ' HB3' HD22 ' A' ' 166' ' ' LEU . 0.6 OUTLIER -121.27 -46.05 2.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.988 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . 0.497 ' HB3' ' CB ' ' A' ' 169' ' ' ASP . 5.6 mt -105.85 54.23 0.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . 0.744 ' N ' HD11 ' A' ' 167' ' ' LEU . 0.0 OUTLIER -43.62 -55.51 4.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.092 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . 0.664 ' H ' HD11 ' A' ' 167' ' ' LEU . 0.5 OUTLIER -54.57 -41.82 70.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 110.307 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . 0.497 ' CB ' ' HB3' ' A' ' 166' ' ' LEU . 7.1 t70 -63.54 -38.46 91.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' VAL . . . . . 0.563 ' CG2' HG13 ' A' ' 159' ' ' VAL . 0.4 OUTLIER -46.84 -53.96 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . 1.062 ' O ' HG21 ' A' ' 174' ' ' THR . 0.3 OUTLIER -61.76 -42.57 99.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 172' ' ' HIS . . . . . 0.648 ' O ' ' CB ' ' A' ' 176' ' ' ASN . 31.1 t60 -61.04 -31.18 70.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.566 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 173' ' ' THR . . . . . 0.794 HG23 ' CD2' ' A' ' 155' ' ' LEU . 6.7 m -65.01 -49.61 69.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 110.384 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 174' ' ' THR . . . . . 1.062 HG21 ' O ' ' A' ' 171' ' ' PHE . 0.4 OUTLIER -61.35 -62.89 1.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.377 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 175' ' ' VAL . . . . . 0.8 ' CG2' ' N ' ' A' ' 21' ' ' VAL . 2.3 t -71.53 5.73 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . 0.732 ' HB3' ' O ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -73.85 -56.75 4.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . 0.847 ' CZ ' ' HB2' ' A' ' 151' ' ' MET . 13.8 m-85 -51.19 -55.59 17.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . 0.582 ' CD1' HD22 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -59.48 -43.42 90.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . 0.471 ' OD1' ' C ' ' A' ' 179' ' ' ASN . 5.1 t-20 -59.55 -37.79 79.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 180' ' ' GLN . . . . . 0.441 ' HB3' ' CD2' ' A' ' 131' ' ' LEU . 1.8 mm-40 -94.83 -0.98 53.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.579 ' HB2' ' O ' ' A' ' 177' ' ' PHE . 7.0 t-20 -95.0 -145.04 0.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . 0.575 ' H ' ' CG ' ' A' ' 181' ' ' ASN . 0.0 OUTLIER -94.79 42.69 1.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 183' ' ' PHE . . . . . 0.618 ' O ' ' CB ' ' A' ' 184' ' ' SER . 1.7 t80 22.5 99.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 111.03 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 184' ' ' SER . . . . . 0.618 ' CB ' ' O ' ' A' ' 183' ' ' PHE . 1.4 m 95.28 90.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 109.983 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 185' ' ' TYR . . . . . 0.668 ' OH ' ' CB ' ' A' ' 146' ' ' LYS . 20.4 t80 -39.04 160.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 186' ' ' VAL . . . . . . . . . . . . . 43.6 t -46.26 -31.26 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . . . . . . . . . 4.9 mmt-85 -53.42 -53.7 47.53 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.127 . . . . 0.0 110.27 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 188' ' ' ASN . . . . . 0.502 ' CB ' ' HB3' ' A' ' 184' ' ' SER . 1.1 t30 -61.57 -43.25 99.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.98 -46.91 71.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 39.0 t -56.2 -44.93 80.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 109.265 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -61.28 -44.73 96.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -56.94 -51.86 67.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.269 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -129.39 127.38 40.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.324 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 194' ' ' MET . . . . . . . . . . . . . 8.3 mtm -70.17 -64.31 0.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.481 0.181 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 164.03 155.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.7 p 179.73 179.21 0.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.01 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -112.0 179.62 3.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.477 ' O ' ' CB ' ' A' ' 6' ' ' SER . 0.8 OUTLIER -175.06 165.42 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 5' ' ' VAL . 0.7 OUTLIER 83.58 123.49 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.038 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 30.9 t30 177.6 106.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -175.14 -177.68 44.41 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.446 1.091 . . . . 0.0 110.971 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.0 m -147.82 178.1 8.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 0.795 . . . . 0.0 109.972 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.72 -26.21 0.29 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.463 1.102 . . . . 0.0 111.038 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.7 mp 58.56 104.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 0.759 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.511 ' O ' ' CB ' ' A' ' 13' ' ' ALA . . . -152.07 115.05 0.67 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.512 1.132 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 12' ' ' GLY . . . 162.17 -101.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 0.758 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.501 ' CB ' ' HB ' ' A' ' 17' ' ' THR . 0.1 OUTLIER -123.89 120.48 32.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.302 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -57.48 -47.53 81.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.611 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.609 HG13 ' CZ ' ' A' ' 183' ' ' PHE . 3.4 tp -58.5 -48.54 85.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.513 HG21 ' CG1' ' A' ' 175' ' ' VAL . 0.6 OUTLIER -54.64 -65.44 0.58 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.404 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.414 ' N ' ' CG2' ' A' ' 17' ' ' THR . 0.0 OUTLIER -50.16 -35.85 27.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.526 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.7 OUTLIER -58.58 -33.78 70.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.589 ' CD2' ' CD2' ' A' ' 90' ' ' LEU . 0.6 OUTLIER -65.31 -45.05 85.89 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.842 ' HB ' ' CG2' ' A' ' 175' ' ' VAL . 0.5 OUTLIER -63.47 -65.04 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.686 ' CE1' ' O ' ' A' ' 35' ' ' LEU . 0.7 OUTLIER -61.23 -32.56 72.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 111.033 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -76.13 -36.97 38.83 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 1.059 ' CE2' ' HA ' ' A' ' 91' ' ' ALA . 1.3 t80 -53.07 -56.43 16.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 0.752 . . . . 0.0 111.022 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.851 ' HB2' ' CZ ' ' A' ' 171' ' ' PHE . 0.3 OUTLIER -57.84 -45.69 85.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -52.9 -32.66 46.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.283 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.583 ' HB2' ' CA ' ' A' ' 88' ' ' ARG . 44.4 t -67.47 -97.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.984 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -143.37 38.12 1.39 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 110.018 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.558 ' HA3' ' CE1' ' A' ' 24' ' ' PHE . . . -82.0 -111.65 0.41 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.526 ' CB ' ' HG2' ' A' ' 34' ' ' GLU . 0.8 OUTLIER -76.66 -98.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.9 m -147.62 169.2 20.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.383 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.532 ' HA ' HD21 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -51.91 -55.33 20.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.321 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -58.2 -26.69 63.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.301 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.593 ' CG ' HD22 ' A' ' 25' ' ' LEU . 0.5 OUTLIER -68.61 -56.37 8.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.27 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.706 ' HA ' HD21 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -47.66 -38.94 15.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.255 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.533 ' N ' ' HG ' ' A' ' 35' ' ' LEU . 14.9 tt0 -72.38 -52.45 15.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 110.306 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.631 ' CG1' ' N ' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -55.39 -58.07 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.847 ' CB ' ' CD2' ' A' ' 171' ' ' PHE . 27.7 mt -67.28 -43.82 80.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.482 ' HA3' ' O ' ' A' ' 35' ' ' LEU . . . -52.1 -51.46 40.9 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.463 1.102 . . . . 0.0 110.976 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.403 ' O ' ' CG ' ' A' ' 40' ' ' ARG . 3.9 ptm180 -86.44 43.84 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.763 . . . . 0.0 110.293 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -143.72 100.73 3.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.329 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.49 ' C ' ' CD2' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -95.44 138.34 21.89 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.404 ' C ' HD22 ' A' ' 42' ' ' LEU . 18.3 Cg_endo -74.95 -91.96 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.488 1.783 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.549 ' O ' ' CB ' ' A' ' 45' ' ' GLN . 2.4 t -129.21 142.26 44.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.549 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 1.2 mm-40 156.26 -73.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 69.65 6.68 5.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.541 ' O ' ' CG ' ' A' ' 48' ' ' TRP . 2.6 t80 -61.02 -133.64 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.541 ' CG ' ' O ' ' A' ' 47' ' ' TYR . 0.1 OUTLIER 158.62 93.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 107.985 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.414 ' O ' ' CB ' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -112.9 -155.36 0.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 110.292 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' A' ' 49' ' ' GLU . . . 169.18 171.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.6 p-10 -153.51 -164.12 1.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.237 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -178.37 116.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -47.97 169.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -167.47 176.01 6.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.074 . . . . 0.0 109.296 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 69.41 141.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.289 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -146.62 -179.9 7.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.6 tp60 -118.49 96.45 5.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 21.0 p -89.8 164.87 14.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.403 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 166.12 156.14 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 149.8 146.88 4.41 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.47 1.106 . . . . 0.0 111.013 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.18 93.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.965 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -170.51 119.33 0.55 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.523 1.139 . . . . 0.0 110.339 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -48.37 143.17 4.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 175.83 179.62 0.16 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.464 1.103 . . . . 0.0 109.949 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -88.33 139.95 29.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.358 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 65' ' ' ARG . 14.0 p -35.95 109.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.976 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -105.52 141.65 36.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -144.38 156.4 44.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -127.89 -61.59 1.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.158 . . . . 0.0 110.333 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 124.34 -139.89 12.22 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.56 155.42 50.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 0.749 . . . . 0.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.2 tt -169.58 167.58 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -92.48 139.64 23.88 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 113.86 3.89 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.435 1.755 . . . . 0.0 111.014 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -49.97 154.35 1.13 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 34.2 m -68.89 77.58 0.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 110.019 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -146.06 59.9 1.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.266 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.7 m 58.1 86.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.043 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -75.44 177.21 6.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.309 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -72.38 58.83 0.41 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.45 1.094 . . . . 0.0 110.271 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -128.24 96.03 4.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 32.6 pt -88.43 -40.54 13.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.41 HG13 ' CD2' ' A' ' 84' ' ' HIS . 2.1 pt -52.95 -58.55 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.486 ' CE1' ' CD1' ' A' ' 19' ' ' LEU . 39.1 m-70 -59.48 -34.75 72.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.601 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -58.01 -45.24 87.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.45 HG21 ' N ' ' A' ' 87' ' ' ALA . 1.6 tp -62.87 -35.76 72.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.596 ' O ' ' HB2' ' A' ' 90' ' ' LEU . . . -55.09 -51.14 67.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.583 ' CA ' ' HB2' ' A' ' 27' ' ' SER . 7.4 mtp180 -65.9 -51.14 61.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.508 ' O ' ' HB ' ' A' ' 93' ' ' ILE . 45.0 t60 -54.68 -18.18 4.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.632 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.596 ' HB2' ' O ' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -61.84 -61.5 2.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 1.059 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . . . -53.83 -57.41 11.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.509 ' HG3' ' N ' ' A' ' 93' ' ' ILE . 0.6 OUTLIER -47.87 -31.28 4.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.518 ' CG2' HG13 ' A' ' 150' ' ' ILE . 0.2 OUTLIER -72.06 -34.01 49.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 91' ' ' ALA . . . -57.09 -50.66 62.62 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.419 ' N ' ' HE3' ' A' ' 157' ' ' LYS . 25.7 t70 -61.78 -48.68 79.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 0.785 . . . . 0.0 109.339 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.03 -43.16 95.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 0.0 110.348 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.522 ' SD ' ' CD1' ' A' ' 150' ' ' ILE . 7.8 tpt -54.67 -39.39 68.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.572 1.17 . . . . 0.0 111.024 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 99' ' ' HIS . 13.3 t0 -42.06 -25.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.448 ' N ' ' C ' ' A' ' 97' ' ' MET . 20.4 t-160 -38.88 -64.58 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.601 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -146.79 89.4 1.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.626 ' CG2' ' O ' ' A' ' 101' ' ' ILE . 5.0 tt -112.76 73.34 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.688 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 4.0 mt-30 159.59 56.84 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.688 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.2 Cg_endo -75.01 12.11 1.29 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.485 1.782 . . . . 0.0 110.95 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.726 ' O ' ' CB ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER 173.87 -18.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.415 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.726 ' CB ' ' O ' ' A' ' 104' ' ' THR . 4.5 pp 139.96 34.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.843 ' O ' ' CD1' ' A' ' 109' ' ' LEU . 1.4 t -62.58 -81.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.668 ' O ' ' CB ' ' A' ' 111' ' ' ALA . 0.5 OUTLIER -54.75 -12.88 0.86 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.253 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.415 ' N ' ' C ' ' A' ' 106' ' ' VAL . 3.6 tm0? -63.12 -51.85 64.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 1.114 HD13 ' H ' ' A' ' 110' ' ' ALA . 0.4 OUTLIER -61.79 -60.5 3.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 1.114 ' H ' HD13 ' A' ' 109' ' ' LEU . . . -53.33 -35.96 60.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.668 ' CB ' ' O ' ' A' ' 107' ' ' ARG . . . -68.09 -25.29 65.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.72 ' HG2' ' H ' ' A' ' 113' ' ' PHE . 3.8 pt20 -57.37 -50.78 71.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.275 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.878 ' CD2' ' O ' ' A' ' 110' ' ' ALA . 1.3 p90 -68.72 -41.92 78.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.817 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -51.3 -39.4 56.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 111.013 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.467 ' HA ' ' CD2' ' A' ' 118' ' ' LEU . 26.0 m120 -136.01 73.91 1.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -119.6 -37.26 0.79 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.559 1.162 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.401 ' O ' ' HB2' ' A' ' 118' ' ' LEU . 44.0 t -154.32 -44.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 0.794 . . . . 0.0 109.987 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.467 ' CD2' ' HA ' ' A' ' 115' ' ' ASN . 2.7 mm? 67.52 81.86 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.48 ' O ' ' CG ' ' A' ' 120' ' ' GLU . 5.3 t -109.14 154.55 22.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.981 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.48 ' CG ' ' O ' ' A' ' 119' ' ' SER . 10.3 pt-20 46.69 34.12 2.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 110.328 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 68.97 60.89 0.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.274 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 38.7 t70 54.84 88.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.429 ' O ' HD22 ' A' ' 127' ' ' LEU . 0.0 OUTLIER -61.61 -159.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.679 ' HB3' ' CE1' ' A' ' 172' ' ' HIS . 1.4 ptp85 -122.12 -12.45 8.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.288 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.501 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 5.6 t30 -68.24 -42.11 80.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.516 ' HB2' ' HB2' ' A' ' 113' ' ' PHE . 1.7 p -51.84 -57.59 8.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 108.289 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.819 ' HA ' ' CE1' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -53.54 -67.54 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -44.91 -29.76 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 125' ' ' ASN . 0.1 OUTLIER -62.46 -28.94 70.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.95 ' HB3' ' HA ' ' A' ' 110' ' ' ALA . . . -73.04 -39.16 66.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.677 ' N ' ' CZ ' ' A' ' 177' ' ' PHE . 0.0 OUTLIER -46.43 -48.69 18.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -73.75 -49.21 26.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.55 ' O ' ' N ' ' A' ' 136' ' ' THR . 7.0 mm-40 -69.17 -58.15 4.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.133 . . . . 0.0 110.329 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.895 ' N ' ' O ' ' A' ' 130' ' ' ALA . 0.3 OUTLIER -45.21 -39.51 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . 0.752 ' O ' ' CD ' ' A' ' 139' ' ' PRO . 32.9 mtmt -73.52 -29.35 62.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' THR . . . . . 0.55 ' N ' ' O ' ' A' ' 133' ' ' GLU . 1.2 t -49.97 -21.47 1.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 110.403 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.687 ' HB1' ' CE1' ' A' ' 138' ' ' PHE . . . -107.98 -50.53 3.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 0.956 ' C ' ' HB3' ' A' ' 144' ' ' ASN . 0.0 OUTLIER -118.49 61.09 4.45 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 110.971 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.752 ' CD ' ' O ' ' A' ' 135' ' ' LYS . 18.2 Cg_endo -75.01 -80.26 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.458 1.768 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . 0.862 ' CB ' ' HB2' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 33.33 -152.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.167 . . . . 0.0 110.316 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . 0.786 ' O ' ' N ' ' A' ' 145' ' ' ASP . 2.5 m-20 -109.01 -140.01 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' MET . . . . . 0.673 ' HG3' ' CD2' ' A' ' 185' ' ' TYR . 6.8 ttt -40.61 -36.41 0.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -63.21 -66.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . 0.956 ' HB3' ' C ' ' A' ' 138' ' ' PHE . 0.9 OUTLIER -82.91 -47.43 11.81 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.786 ' N ' ' O ' ' A' ' 141' ' ' ASP . 11.8 t70 -40.6 -57.79 1.77 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.509 ' CG ' ' O ' ' A' ' 142' ' ' MET . 12.3 mmmt -52.44 -24.62 8.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.71 ' CB ' ' O ' ' A' ' 144' ' ' ASN . . . -59.65 -55.66 31.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' MET . . . . . 0.752 ' HG3' ' N ' ' A' ' 149' ' ' LEU . 0.4 OUTLIER -53.25 -50.07 65.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.752 ' N ' ' HG3' ' A' ' 148' ' ' MET . 0.2 OUTLIER -54.21 -50.44 67.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . 0.522 ' CD1' ' SD ' ' A' ' 97' ' ' MET . 0.1 OUTLIER -52.22 -26.24 8.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' MET . . . . . 0.935 ' O ' ' CD2' ' A' ' 155' ' ' LEU . 6.4 tpp -62.61 -53.79 49.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' THR . . . . . 1.105 ' OG1' ' O ' ' A' ' 173' ' ' THR . 1.4 t -42.17 -44.95 3.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.387 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' MET . . . . . 0.576 ' N ' HG21 ' A' ' 152' ' ' THR . 3.4 mpp? -72.85 -24.83 60.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.691 ' C ' ' CD2' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -59.71 -50.13 75.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.35 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 1.064 ' H ' ' CD2' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -50.91 -59.95 3.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . 0.562 ' HA ' ' CG2' ' A' ' 170' ' ' VAL . . . -57.21 -50.54 72.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.485 ' CE ' ' HA ' ' A' ' 157' ' ' LYS . 2.8 tppt? -45.72 -54.63 7.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . 0.986 ' O ' ' N ' ' A' ' 162' ' ' HIS . 0.0 OUTLIER -78.03 -59.06 2.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . 0.709 ' N ' ' O ' ' A' ' 155' ' ' LEU . 89.0 t -42.4 -55.33 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . 0.551 ' CB ' ' O ' ' A' ' 156' ' ' ALA . . . -32.51 -48.13 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.28 -10.44 11.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.025 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . 0.986 ' N ' ' O ' ' A' ' 158' ' ' LYS . 1.2 t60 -87.36 -51.57 5.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.62 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 0.647 ' H ' ' HA ' ' A' ' 159' ' ' VAL . . . -97.71 146.27 31.15 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -30.36 7.24 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.478 1.778 . . . . 0.0 110.955 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.73 76.43 2.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.035 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . 0.492 ' CB ' HG22 ' A' ' 170' ' ' VAL . 0.4 OUTLIER -95.34 30.25 2.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . 0.606 ' HA ' ' CD2' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -72.51 -140.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . 0.62 ' O ' ' HB2' ' A' ' 172' ' ' HIS . 0.0 OUTLIER -52.94 -19.95 3.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . 0.439 ' O ' ' OG1' ' A' ' 173' ' ' THR . 1.3 m-20 -63.88 -54.94 26.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' VAL . . . . . 0.562 ' CG2' ' HA ' ' A' ' 156' ' ' ALA . 1.2 t -54.37 -58.73 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . 0.851 ' CZ ' ' HB2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -57.14 -50.15 73.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 110.981 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 172' ' ' HIS . . . . . 0.679 ' CE1' ' HB3' ' A' ' 124' ' ' ARG . 15.3 t-160 -51.62 -42.58 62.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.559 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 173' ' ' THR . . . . . 1.105 ' O ' ' OG1' ' A' ' 152' ' ' THR . 57.4 m -52.39 -47.39 66.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 110.414 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 174' ' ' THR . . . . . 0.734 ' HA ' ' CG2' ' A' ' 152' ' ' THR . 11.5 p -61.17 -64.63 0.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.435 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 175' ' ' VAL . . . . . 0.842 ' CG2' ' HB ' ' A' ' 21' ' ' VAL . 2.6 t -70.42 9.28 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . 0.724 ' CB ' HD11 ' A' ' 127' ' ' LEU . 0.0 OUTLIER -76.6 -58.87 3.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . 0.677 ' CZ ' ' N ' ' A' ' 131' ' ' LEU . 2.6 m-30 -62.62 -53.46 54.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . 0.627 ' CD1' ' N ' ' A' ' 179' ' ' ASN . 0.0 OUTLIER -53.84 -42.24 51.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . 0.627 ' N ' ' CD1' ' A' ' 178' ' ' ILE . 16.6 t-20 -70.73 -42.4 70.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.255 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -71.17 -23.98 62.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.336 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.574 ' N ' ' O ' ' A' ' 177' ' ' PHE . 41.0 t30 -109.14 -151.89 0.48 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . 0.655 ' O ' ' N ' ' A' ' 184' ' ' SER . 0.0 OUTLIER -95.0 80.58 3.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 183' ' ' PHE . . . . . 0.694 ' CG ' ' N ' ' A' ' 184' ' ' SER . 0.2 OUTLIER 23.43 -84.31 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 110.987 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 184' ' ' SER . . . . . 0.694 ' N ' ' CG ' ' A' ' 183' ' ' PHE . 39.9 t -100.96 147.83 25.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.028 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 185' ' ' TYR . . . . . 0.673 ' CD2' ' HG3' ' A' ' 142' ' ' MET . 8.0 t80 -28.66 145.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 111.0 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 186' ' ' VAL . . . . . 0.523 HG11 ' CE1' ' A' ' 185' ' ' TYR . 5.0 p -40.04 -30.56 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . 0.655 ' HB2' ' CE2' ' A' ' 185' ' ' TYR . 0.0 OUTLIER -54.81 -53.96 48.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 188' ' ' ASN . . . . . 0.517 ' CB ' ' HB3' ' A' ' 184' ' ' SER . 2.4 m120 -62.94 -43.93 97.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 14.1 tp -53.04 -46.4 68.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 43.0 t -58.64 -44.54 89.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -59.95 -48.83 80.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.288 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -55.75 -49.17 73.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.08 142.42 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 194' ' ' MET . . . . . . . . . . . . . 14.4 ttt -117.41 130.34 56.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.954 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 6.7 t0 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.7 ptt? . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.516 0.198 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 169.38 -179.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.83 170.85 0.67 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 110.011 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 176.1 160.4 0.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.257 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.4 p -173.21 165.42 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 t -169.76 175.47 5.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.988 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -174.15 179.3 1.91 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -170.26 178.42 43.01 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.446 1.091 . . . . 0.0 111.012 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 m -150.28 -173.97 4.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 0.771 . . . . 0.0 109.967 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -134.93 -166.02 10.99 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.542 1.152 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 68.45 140.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 109.329 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.434 ' O ' ' CG2' ' A' ' 186' ' ' VAL . . . 177.03 -154.59 16.28 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.504 1.127 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.42 ' O ' HG21 ' A' ' 83' ' ' ILE . . . -106.61 178.93 4.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 0.77 . . . . 0.0 109.249 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.419 ' HD3' ' CG2' ' A' ' 178' ' ' ILE . 1.3 mmtp -129.27 2.7 5.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.613 ' HA ' ' CE1' ' A' ' 183' ' ' PHE . 0.4 OUTLIER -61.58 -44.31 97.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.566 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.502 ' O ' ' HB2' ' A' ' 19' ' ' LEU . 4.4 pt -68.45 47.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.675 HG22 ' CG2' ' A' ' 178' ' ' ILE . 4.8 m -49.65 -52.16 32.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.376 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.58 -40.23 18.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.502 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 3.6 mm? -63.8 -28.37 69.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.663 ' CD2' ' CD2' ' A' ' 90' ' ' LEU . 2.5 tm? -65.02 -43.81 91.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.812 ' HB ' ' CG2' ' A' ' 175' ' ' VAL . 0.5 OUTLIER -60.24 -63.33 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.793 ' CD2' ' HA3' ' A' ' 39' ' ' GLY . 4.3 t80 -62.95 -32.58 73.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.543 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -74.6 -35.83 50.39 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 1.017 ' CE2' ' HA ' ' A' ' 91' ' ' ALA . 5.4 t80 -54.14 -58.67 6.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 0.772 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.834 ' HB2' ' CZ ' ' A' ' 171' ' ' PHE . 0.3 OUTLIER -55.9 -44.4 78.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.594 ' HG3' ' N ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -53.09 -32.71 48.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.594 ' N ' ' HG3' ' A' ' 26' ' ' GLN . 41.0 t -68.52 -96.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.958 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -142.16 20.25 2.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.987 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.616 ' HA3' ' CE1' ' A' ' 24' ' ' PHE . . . -57.9 -104.08 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.512 1.133 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.472 ' H ' ' CD1' ' A' ' 25' ' ' LEU . 40.4 t -91.56 -95.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 34' ' ' GLU . 0.5 OUTLIER -145.31 153.35 41.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.461 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.409 ' O ' HD21 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -43.52 -57.03 3.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.329 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.483 ' O ' ' CG2' ' A' ' 37' ' ' VAL . 7.7 tt0 -54.96 -26.24 35.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.427 1.079 . . . . 0.0 110.28 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.64 ' CG ' HD22 ' A' ' 25' ' ' LEU . 1.5 tp10 -66.79 -55.77 13.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.718 ' HG ' ' CD1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -47.34 -34.75 7.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.608 ' N ' ' CD2' ' A' ' 35' ' ' LEU . 20.8 tt0 -70.26 -44.9 67.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.102 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.491 ' CG1' HD23 ' A' ' 167' ' ' LEU . 3.7 t -63.87 -59.86 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 1.176 ' HB2' ' CD2' ' A' ' 171' ' ' PHE . 0.4 OUTLIER -65.75 -41.47 92.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.248 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.793 ' HA3' ' CD2' ' A' ' 22' ' ' PHE . . . -49.58 -43.99 37.23 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.485 1.116 . . . . 0.0 111.021 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.0 ptt85 176.0 113.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 0.764 . . . . 0.0 110.276 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -141.79 98.57 3.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.317 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -101.71 106.89 49.25 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 44' ' ' VAL . 18.2 Cg_endo -75.0 135.49 19.14 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.507 1.793 . . . . 0.0 110.975 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.525 ' O ' ' CB ' ' A' ' 45' ' ' GLN . 10.0 p -39.63 102.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.525 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 10.5 tt0 158.65 130.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 110.309 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 47' ' ' TYR . . . -156.92 -49.77 0.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.541 ' O ' ' CB ' ' A' ' 48' ' ' TRP . 2.5 t80 -35.55 126.49 0.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.541 ' CB ' ' O ' ' A' ' 47' ' ' TYR . 0.1 OUTLIER 158.12 159.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 108.027 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.505 ' O ' ' CB ' ' A' ' 50' ' ' ALA . 0.6 OUTLIER 69.14 132.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.269 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 49' ' ' GLU . . . 162.38 118.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.472 ' O ' ' C ' ' A' ' 52' ' ' LEU . 0.8 OUTLIER -177.04 89.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.472 ' C ' ' O ' ' A' ' 51' ' ' ASP . 0.8 OUTLIER -34.2 147.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -167.78 118.54 0.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 110.266 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -175.19 156.61 2.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 178.39 84.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 110.271 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.5 tp 60.74 152.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 178.61 105.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 47.1 p -86.52 159.21 19.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 110.38 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -179.8 -58.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 113.25 -94.38 0.71 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.53 1.144 . . . . 0.0 110.966 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 49.4 m 61.67 169.87 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.769 . . . . 0.0 110.023 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 71.23 141.97 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -127.18 -64.01 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 30.9 p -178.84 -60.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.038 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.453 ' O ' ' CB ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -139.53 130.9 26.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.303 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 65' ' ' ARG . 1.4 t 163.43 74.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.973 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -139.72 94.11 2.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -158.4 108.87 2.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 61.68 86.03 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 110.298 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -54.58 -87.21 0.02 OUTLIER Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.496 1.123 . . . . 0.0 110.98 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.0 mtt-85 -104.3 -2.33 25.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 0.773 . . . . 0.0 110.282 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 7.0 mt -80.08 84.51 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -86.86 151.82 52.84 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.255 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 69.45 5.57 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.477 1.777 . . . . 0.0 110.958 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -107.7 70.01 0.76 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.9 t -55.35 145.71 21.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.959 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -81.51 59.22 3.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 110.258 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 41.04 -153.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.982 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -133.53 -45.81 0.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.3 pm0 -65.89 -21.3 66.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.294 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 43.02 50.36 5.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 110.314 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.489 ' O ' ' HB2' ' A' ' 85' ' ' ASN . 7.3 mm -98.4 -13.09 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.518 ' O ' HG23 ' A' ' 86' ' ' ILE . 1.5 mp -53.38 -40.76 41.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.342 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.41 ' NE2' ' HG ' ' A' ' 19' ' ' LEU . 47.5 m80 -64.31 -41.87 96.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.633 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.489 ' HB2' ' O ' ' A' ' 82' ' ' ILE . 25.3 m120 -52.35 -45.45 65.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.518 HG23 ' O ' ' A' ' 83' ' ' ILE . 0.6 OUTLIER -61.82 -50.39 80.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.491 ' O ' ' HB2' ' A' ' 90' ' ' LEU . . . -53.36 -37.64 62.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.542 ' O ' ' CB ' ' A' ' 27' ' ' SER . 3.6 ttm180 -64.67 -51.76 60.85 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.479 ' CE1' HD11 ' A' ' 93' ' ' ILE . 86.4 t60 -53.24 -19.55 3.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.582 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.663 ' CD2' ' CD2' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -58.69 -71.67 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.339 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 1.017 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . . . -51.44 -48.08 62.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.253 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -50.03 -41.49 47.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.297 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.537 ' O ' ' CB ' ' A' ' 97' ' ' MET . 2.2 tp -67.84 -25.81 33.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.55 ' CA ' ' HD2' ' A' ' 157' ' ' LYS . . . -62.39 -52.67 47.62 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.491 1.119 . . . . 0.0 110.944 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -58.49 -52.18 66.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 0.729 . . . . 0.0 109.315 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -43.1 96.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.269 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.537 ' CB ' ' O ' ' A' ' 93' ' ' ILE . 36.4 tpp -54.5 -38.97 67.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.976 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.467 ' O ' ' C ' ' A' ' 99' ' ' HIS . 26.2 t70 -40.81 -27.09 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.47 ' N ' ' C ' ' A' ' 97' ' ' MET . 1.4 m-70 -35.24 -66.04 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.633 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 47.0 m-20 -146.2 89.63 1.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.543 ' O ' ' HB2' ' A' ' 102' ' ' GLN . 12.4 tt -105.99 78.17 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.763 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 0.1 OUTLIER 159.99 54.71 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 0.0 110.275 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.763 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.3 Cg_endo -74.98 -20.81 16.54 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.508 1.794 . . . . 0.0 110.976 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.673 ' O ' ' CD2' ' A' ' 105' ' ' LEU . 33.6 p -146.28 7.88 1.04 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 110.449 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.673 ' CD2' ' O ' ' A' ' 104' ' ' THR . 0.2 OUTLIER 102.58 31.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 1.175 ' O ' ' CD1' ' A' ' 109' ' ' LEU . 1.2 t -60.77 -63.7 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.08 . . . . 0.0 109.254 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.849 ' O ' ' CB ' ' A' ' 111' ' ' ALA . 0.1 OUTLIER -67.18 -13.65 62.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.559 ' O ' ' HB1' ' A' ' 111' ' ' ALA . 0.0 OUTLIER -62.15 -61.08 2.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 1.175 ' CD1' ' O ' ' A' ' 106' ' ' VAL . 0.1 OUTLIER -61.04 -61.68 2.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 1.019 ' HA ' ' HB3' ' A' ' 130' ' ' ALA . . . -52.79 -17.81 1.55 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.849 ' CB ' ' O ' ' A' ' 107' ' ' ARG . . . -82.11 -56.17 4.1 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 1.078 ' HG3' ' O ' ' A' ' 109' ' ' LEU . 0.5 OUTLIER -40.27 -54.56 2.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.863 ' CE1' ' HA ' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -62.09 -40.75 96.89 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.676 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 5.5 tpt -56.43 59.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 111.018 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.746 ' N ' ' O ' ' A' ' 113' ' ' PHE . 1.6 t-20 -144.03 -151.31 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.425 ' HA3' ' NZ ' ' A' ' 123' ' ' LYS . . . 96.26 -163.94 23.26 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 25.3 m -156.75 50.45 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 0.748 . . . . 0.0 110.064 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.494 ' CD1' HD12 ' A' ' 166' ' ' LEU . 2.0 mm? 67.66 90.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.41 ' O ' ' OD1' ' A' ' 122' ' ' ASP . 0.1 OUTLIER -106.34 118.55 36.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.018 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 73.48 16.58 3.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.287 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.438 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 1.4 mt-10 65.4 77.2 0.31 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.577 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 0.2 OUTLIER 159.69 -87.86 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.577 ' CB ' ' O ' ' A' ' 122' ' ' ASP . 2.2 tppt? 94.0 68.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.557 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -112.5 -12.42 13.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.524 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 4.8 p30 -72.65 -42.3 64.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.698 ' SG ' ' N ' ' A' ' 127' ' ' LEU . 1.7 p -49.38 -53.83 20.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 108.34 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.863 ' HA ' ' CE1' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -52.84 -69.97 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.454 ' O ' ' HB3' ' A' ' 131' ' ' LEU . . . -47.63 -27.93 2.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.524 ' HB2' ' O ' ' A' ' 125' ' ' ASN . 0.0 OUTLIER -55.65 -35.3 65.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 1.019 ' HB3' ' HA ' ' A' ' 110' ' ' ALA . . . -72.49 -40.69 66.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.635 ' O ' ' CB ' ' A' ' 135' ' ' LYS . 0.0 OUTLIER -43.76 -41.63 5.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.476 ' O ' ' HB ' ' A' ' 136' ' ' THR . 0.4 OUTLIER -72.96 -52.3 15.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.519 ' C ' HD21 ' A' ' 109' ' ' LEU . 1.4 mt-10 -73.66 -59.19 2.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.271 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.843 ' N ' ' O ' ' A' ' 130' ' ' ALA . 1.1 t -45.93 -39.27 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . 0.7 ' HG3' ' HA ' ' A' ' 139' ' ' PRO . 0.0 OUTLIER -74.87 -38.13 62.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' THR . . . . . 0.476 ' HB ' ' O ' ' A' ' 132' ' ' ASP . 0.7 OUTLIER -51.56 -19.6 1.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 110.423 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.659 ' HB1' ' CE1' ' A' ' 138' ' ' PHE . . . -103.41 -51.93 3.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 0.748 ' CD1' ' N ' ' A' ' 138' ' ' PHE . 0.0 OUTLIER -119.1 65.51 7.5 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.7 ' HA ' ' HG3' ' A' ' 135' ' ' LYS . 18.3 Cg_endo -75.01 -91.41 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.542 1.811 . . . . 0.0 110.978 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . 0.726 ' CB ' ' HB2' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 40.49 -168.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 110.284 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . 0.645 ' O ' ' N ' ' A' ' 145' ' ' ASP . 4.7 m-20 -94.5 -143.65 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' MET . . . . . 0.57 ' HA ' ' CE2' ' A' ' 185' ' ' TYR . 0.0 OUTLIER -44.59 -34.28 2.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 111.043 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -55.82 -69.09 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . 0.749 ' O ' ' N ' ' A' ' 147' ' ' ALA . 1.0 OUTLIER -80.15 -41.74 24.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.645 ' N ' ' O ' ' A' ' 141' ' ' ASP . 83.4 m-20 -36.53 -52.0 0.85 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.534 ' HB2' ' CZ ' ' A' ' 185' ' ' TYR . 11.8 ttpt -53.41 -30.65 41.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.248 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.749 ' N ' ' O ' ' A' ' 144' ' ' ASN . . . -55.64 -56.8 16.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' MET . . . . . 0.769 ' HG3' ' N ' ' A' ' 149' ' ' LEU . 0.0 OUTLIER -52.84 -42.18 64.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.769 ' N ' ' HG3' ' A' ' 148' ' ' MET . 89.8 mt -55.84 -48.5 75.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . 0.541 ' O ' ' CG ' ' A' ' 153' ' ' MET . 2.5 mt -51.07 -28.26 6.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.254 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' MET . . . . . 0.924 ' O ' ' CD2' ' A' ' 155' ' ' LEU . 36.1 mmm -66.68 -50.69 62.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' THR . . . . . 1.149 ' OG1' ' O ' ' A' ' 173' ' ' THR . 1.0 OUTLIER -42.17 -50.43 4.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 110.445 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' MET . . . . . 0.614 ' N ' HG21 ' A' ' 152' ' ' THR . 5.4 ptt? -70.58 -26.45 63.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 111.001 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.684 ' C ' ' CD2' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -54.33 -49.98 68.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 1.005 ' H ' ' CD2' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -52.39 -56.65 13.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.334 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . 0.653 ' O ' ' HB2' ' A' ' 161' ' ' SER . . . -56.21 -52.03 65.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.677 ' HA ' ' CB ' ' A' ' 161' ' ' SER . 1.3 mtpm? -47.3 -52.66 15.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . 0.601 ' O ' ' CB ' ' A' ' 162' ' ' HIS . 17.3 ptmt -73.71 -42.07 61.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . 1.085 ' O ' ' N ' ' A' ' 163' ' ' ALA . 24.8 t -70.01 -134.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.355 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . 0.669 ' H ' ' CG1' ' A' ' 159' ' ' VAL . . . -25.9 -62.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.251 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' SER . . . . . 0.677 ' CB ' ' HA ' ' A' ' 157' ' ' LYS . 0.4 OUTLIER -48.86 -13.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.01 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . 0.969 ' N ' ' O ' ' A' ' 159' ' ' VAL . 0.6 OUTLIER -148.31 -44.22 0.16 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.428 1.08 . . . . 0.0 109.614 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 1.085 ' N ' ' O ' ' A' ' 159' ' ' VAL . . . -108.61 94.68 14.51 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' PRO . . . . . 0.515 ' HD3' ' O ' ' A' ' 162' ' ' HIS . 18.3 Cg_endo -75.03 74.28 4.07 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.508 1.794 . . . . 0.0 110.975 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.99 -73.73 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.982 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . 0.494 HD12 ' CD1' ' A' ' 118' ' ' LEU . 0.2 OUTLIER -123.08 79.9 1.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . 0.748 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -52.38 -25.81 10.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.348 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . 0.625 ' CG ' ' N ' ' A' ' 169' ' ' ASP . 18.8 ptt180 -60.75 -49.84 75.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . 0.625 ' N ' ' CG ' ' A' ' 168' ' ' ARG . 65.7 t0 -65.64 -31.92 73.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' VAL . . . . . 0.518 HG21 ' HB ' ' A' ' 159' ' ' VAL . 0.9 OUTLIER -51.24 -65.63 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.255 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . 1.176 ' CD2' ' HB2' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -53.74 -51.69 62.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 110.971 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 172' ' ' HIS . . . . . 0.611 ' O ' ' HB3' ' A' ' 176' ' ' ASN . 0.5 OUTLIER -52.06 -42.2 62.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.56 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 173' ' ' THR . . . . . 1.149 ' O ' ' OG1' ' A' ' 152' ' ' THR . 85.7 m -55.9 -39.8 72.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.413 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 174' ' ' THR . . . . . 0.834 ' HA ' ' CG2' ' A' ' 152' ' ' THR . 11.7 p -65.63 -72.85 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.39 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 175' ' ' VAL . . . . . 0.812 ' CG2' ' HB ' ' A' ' 21' ' ' VAL . 40.0 t -66.51 10.69 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . 0.715 ' HB2' ' CD1' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -77.54 -61.23 2.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . 0.683 ' HZ ' ' CB ' ' A' ' 130' ' ' ALA . 2.5 m-30 -62.16 -53.79 50.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . 0.675 ' CG2' HG22 ' A' ' 17' ' ' THR . 2.3 mt -51.64 -46.69 38.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 175' ' ' VAL . 6.8 t-20 -62.22 -41.29 98.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.238 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -94.75 11.47 31.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.672 ' N ' ' O ' ' A' ' 177' ' ' PHE . 41.9 t30 -95.55 -137.43 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . 0.561 ' O ' ' C ' ' A' ' 183' ' ' PHE . 0.1 OUTLIER -91.14 18.48 6.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 183' ' ' PHE . . . . . 0.793 ' O ' ' CG ' ' A' ' 183' ' ' PHE . 13.5 t80 23.52 48.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.96 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 184' ' ' SER . . . . . 0.557 ' CB ' ' O ' ' A' ' 183' ' ' PHE . 0.5 OUTLIER 155.39 43.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.991 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 185' ' ' TYR . . . . . 0.57 ' CE2' ' HA ' ' A' ' 142' ' ' MET . 10.0 t80 -46.92 -56.84 5.68 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 186' ' ' VAL . . . . . 0.434 ' CG2' ' O ' ' A' ' 12' ' ' GLY . 19.8 m -65.3 -44.0 94.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.165 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . 0.589 ' O ' HG21 ' A' ' 190' ' ' VAL . 0.0 OUTLIER -54.88 -43.63 73.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.309 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 188' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -63.19 -41.29 99.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . 0.509 ' O ' ' OD1' ' A' ' 192' ' ' ASN . 0.7 OUTLIER -56.13 -54.28 47.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 109.348 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . 0.589 HG21 ' O ' ' A' ' 187' ' ' ARG . 0.9 OUTLIER -62.84 -41.16 91.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 191' ' ' ARG . . . . . 0.412 ' N ' HG21 ' A' ' 190' ' ' VAL . 0.0 OUTLIER -54.25 -55.75 25.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 192' ' ' ASN . . . . . 0.514 ' C ' ' ND2' ' A' ' 192' ' ' ASN . 0.4 OUTLIER -63.36 -43.37 97.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 193' ' ' GLU . . . . . 0.514 ' N ' ' ND2' ' A' ' 192' ' ' ASN . 1.0 OUTLIER -85.3 65.84 9.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.331 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 194' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -174.14 -45.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 111.002 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 13.7 t70 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.461 0.172 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -178.37 173.07 1.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.5 m -119.6 -177.85 3.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.964 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -143.95 53.62 1.3 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 0.0 110.287 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.7 p -155.67 160.93 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 169.39 156.42 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.011 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -178.13 171.71 1.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.255 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -94.66 -149.87 26.23 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.522 1.139 . . . . 0.0 110.957 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.6 t -135.81 -93.44 0.26 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 0.763 . . . . 0.0 109.967 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 147.36 -142.26 10.07 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.517 1.135 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 68.4 175.12 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 0.784 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -101.39 161.22 18.13 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.448 1.093 . . . . 0.0 111.026 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.565 ' O ' ' CB ' ' A' ' 14' ' ' LYS . . . 62.6 100.97 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 0.774 . . . . 0.0 109.331 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.565 ' CB ' ' O ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER 158.58 -17.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -51.84 -51.16 58.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.636 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.67 ' CG2' ' CE1' ' A' ' 183' ' ' PHE . 5.4 tp -54.35 -49.4 64.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.718 ' O ' HG23 ' A' ' 175' ' ' VAL . 0.2 OUTLIER -52.44 -40.37 62.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.404 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.738 ' O ' HG21 ' A' ' 21' ' ' VAL . 1.0 OUTLIER -47.62 -39.01 15.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.537 ' HG ' ' CE1' ' A' ' 84' ' ' HIS . 1.8 mm? -70.18 -27.61 64.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.729 HD12 ' CD2' ' A' ' 90' ' ' LEU . 0.1 OUTLIER -60.66 -54.54 44.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.35 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.816 ' H ' HG23 ' A' ' 175' ' ' VAL . 0.0 OUTLIER -53.53 -60.91 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 109.296 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.712 ' CD2' HD13 ' A' ' 35' ' ' LEU . 2.8 t80 -56.97 -35.89 69.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -71.79 -36.21 61.69 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.855 ' CG ' ' HB1' ' A' ' 91' ' ' ALA . 0.9 OUTLIER -53.86 -57.67 10.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 111.01 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.743 HD22 ' C ' ' A' ' 34' ' ' GLU . 0.3 OUTLIER -57.57 -43.08 84.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -30.67 67.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.334 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.577 ' CB ' ' O ' ' A' ' 88' ' ' ARG . 43.6 t -71.69 -65.24 0.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.029 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.501 ' O ' ' C ' ' A' ' 29' ' ' GLY . 5.5 m -142.68 -89.4 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.029 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.501 ' C ' ' O ' ' A' ' 28' ' ' SER . . . 29.4 -128.52 0.1 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.468 1.105 . . . . 0.0 110.984 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.657 ' HB3' ' CB ' ' A' ' 34' ' ' GLU . 49.0 t -75.05 -109.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.3 t -145.26 172.59 12.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.432 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.554 ' O ' ' CD2' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -48.12 -51.11 26.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.442 ' HG3' ' N ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -54.46 -28.19 42.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 110.322 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.743 ' C ' HD22 ' A' ' 25' ' ' LEU . 3.6 tp10 -68.63 -58.95 3.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.712 HD13 ' CD2' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -44.69 -35.31 2.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.265 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.506 ' N ' HD22 ' A' ' 35' ' ' LEU . 1.9 tt0 -69.67 -39.67 76.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.258 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.619 ' CG1' HD23 ' A' ' 167' ' ' LEU . 20.1 t -64.48 -60.99 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 1.157 ' HB2' ' CD2' ' A' ' 171' ' ' PHE . 0.3 OUTLIER -64.07 -44.57 92.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.621 ' HA3' ' CD1' ' A' ' 22' ' ' PHE . . . -46.21 -52.4 10.41 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.416 ' O ' ' O ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER 173.49 -160.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 0.751 . . . . 0.0 110.312 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -142.55 97.27 3.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.318 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 2.8 mm? -99.08 123.95 47.09 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 42' ' ' LEU . 18.2 Cg_endo -75.04 -57.29 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.486 1.782 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.591 ' O ' ' CB ' ' A' ' 45' ' ' GLN . 8.4 p -40.81 -35.67 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.591 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 17.3 tt0 152.6 156.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.45 ' N ' ' CG ' ' A' ' 45' ' ' GLN . . . -70.71 60.5 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.591 ' O ' ' CB ' ' A' ' 48' ' ' TRP . 6.3 t80 -33.41 140.22 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.591 ' CB ' ' O ' ' A' ' 47' ' ' TYR . 2.0 t-105 154.32 160.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.416 ' N ' ' CG ' ' A' ' 48' ' ' TRP . 0.6 OUTLIER -166.24 -179.23 4.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.312 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 49' ' ' GLU . . . 59.42 154.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.42 ' O ' ' O ' ' A' ' 52' ' ' LEU . 0.7 OUTLIER 170.43 165.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.337 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.42 ' O ' ' O ' ' A' ' 51' ' ' ASP . 0.3 OUTLIER 57.78 158.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.403 ' N ' HD22 ' A' ' 52' ' ' LEU . 18.3 tt0 -174.75 101.9 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.19 176.21 5.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.415 ' O ' ' CB ' ' A' ' 56' ' ' LEU . 28.8 tt0 -170.99 146.07 2.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.415 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 0.5 OUTLIER 81.47 147.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -169.36 152.14 4.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.467 ' O ' ' CG2' ' A' ' 58' ' ' THR . 15.0 t -153.47 100.8 2.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.415 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -134.61 158.47 43.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -164.82 167.02 38.37 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.467 1.104 . . . . 0.0 110.973 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.8 t -148.39 142.21 25.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 0.77 . . . . 0.0 110.032 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.23 -63.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 110.277 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.449 ' O ' ' CB ' ' A' ' 64' ' ' SER . . . -41.9 -65.73 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.348 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' A' ' 63' ' ' ALA . 0.2 OUTLIER 82.25 -57.2 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 110.028 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.545 ' O ' ' CB ' ' A' ' 66' ' ' SER . 6.5 ttt-85 -87.01 90.64 8.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 65' ' ' ARG . 2.1 p 156.01 174.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 110.003 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -126.57 158.48 36.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 173.66 91.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -87.61 176.92 7.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.156 . . . . 0.0 110.28 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -171.1 165.72 38.86 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.92 176.91 5.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.7 pp -108.92 120.72 60.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -87.95 148.85 44.3 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.332 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 174.83 12.11 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.545 1.813 . . . . 0.0 110.964 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -146.56 -176.54 5.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 70.7 m -83.41 179.33 7.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 110.021 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -119.32 157.76 27.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.9 p -164.5 130.87 2.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.98 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 81' ' ' GLU . 1.8 mt-30 177.65 162.7 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.273 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.18 64.17 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.122 . . . . 0.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 79' ' ' GLN . 1.3 pt-20 177.08 73.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.319 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.1 pp -80.71 -34.91 14.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 59.4 mt -53.49 -50.78 47.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.537 ' CE1' ' HG ' ' A' ' 19' ' ' LEU . 70.8 m-70 -62.31 -34.14 76.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.602 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.458 ' HA ' ' CZ ' ' A' ' 88' ' ' ARG . 3.8 t-20 -56.47 -49.93 73.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.43 HG21 ' N ' ' A' ' 87' ' ' ALA . 1.0 OUTLIER -62.77 -32.52 56.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.672 ' O ' ' HB2' ' A' ' 90' ' ' LEU . . . -52.81 -48.2 67.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.577 ' O ' ' CB ' ' A' ' 27' ' ' SER . 0.2 OUTLIER -67.63 -40.86 84.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.09 . . . . 0.0 110.295 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.545 ' O ' ' HB ' ' A' ' 93' ' ' ILE . 15.2 t-160 -57.16 -18.8 16.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.617 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.729 ' CD2' HD12 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -56.35 -70.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.855 ' HB1' ' CG ' ' A' ' 24' ' ' PHE . . . -53.04 -52.18 59.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -53.18 -27.14 19.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.545 ' HB ' ' O ' ' A' ' 89' ' ' HIS . 0.1 OUTLIER -68.06 -36.83 76.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.613 ' CA ' ' HG3' ' A' ' 153' ' ' MET . . . -59.18 -53.5 45.79 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.455 1.097 . . . . 0.0 110.98 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -54.73 -48.08 73.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 0.796 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -37.3 87.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 110.304 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.602 ' CG ' ' N ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER -49.88 -49.97 47.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.602 ' N ' ' CG ' ' A' ' 97' ' ' MET . 22.9 t0 -38.35 -31.26 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 97' ' ' MET . 11.8 t-160 -52.82 -62.83 1.39 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.602 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -148.41 88.49 1.64 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.656 ' CG2' ' O ' ' A' ' 101' ' ' ILE . 0.2 OUTLIER -129.52 98.06 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.362 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.868 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 2.2 pt20 160.05 51.01 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.868 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.2 Cg_endo -75.0 -12.42 21.51 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.509 1.794 . . . . 0.0 110.968 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.677 ' O ' ' CB ' ' A' ' 105' ' ' LEU . 0.5 OUTLIER -161.07 3.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.677 ' CB ' ' O ' ' A' ' 104' ' ' THR . 2.0 mt 103.52 41.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.787 ' HA ' ' CZ ' ' A' ' 138' ' ' PHE . 1.4 m -50.32 -86.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.605 ' O ' ' CB ' ' A' ' 111' ' ' ALA . 0.0 OUTLIER -48.35 -22.33 0.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.283 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.55 ' CB ' ' HB3' ' A' ' 105' ' ' LEU . 3.0 mm-40 -65.78 -52.54 49.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 1.152 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 0.5 OUTLIER -68.03 -63.01 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.236 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.828 ' N ' ' CD1' ' A' ' 109' ' ' LEU . . . -48.26 -23.13 0.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.605 ' CB ' ' O ' ' A' ' 107' ' ' ARG . . . -68.26 -52.6 32.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.577 1.173 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 1.152 ' HG3' ' O ' ' A' ' 109' ' ' LEU . 0.6 OUTLIER -49.46 -39.15 32.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.899 ' CE2' ' CD1' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -61.17 -50.26 73.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 111.036 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.697 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 1.1 ttm -52.81 127.57 23.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -142.77 99.53 3.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 109.354 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -76.57 101.06 1.48 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.42 ' O ' ' HB2' ' A' ' 118' ' ' LEU . 2.9 m -154.82 -52.56 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.532 0.784 . . . . 0.0 109.974 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.42 ' HB2' ' O ' ' A' ' 117' ' ' SER . 1.9 mm? 70.63 91.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.593 ' O ' ' CB ' ' A' ' 120' ' ' GLU . 1.7 m -140.05 74.15 1.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.991 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.593 ' CB ' ' O ' ' A' ' 119' ' ' SER . 4.3 mt-10 152.41 2.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.571 ' CB ' ' O ' ' A' ' 120' ' ' GLU . 1.8 mm-40 91.53 49.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 121' ' ' GLU . 3.9 t70 83.05 123.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.422 ' O ' HD22 ' A' ' 127' ' ' LEU . 0.0 OUTLIER -102.13 132.17 48.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.558 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -118.4 -14.25 9.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.472 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 4.6 m120 -69.36 -40.27 77.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.615 ' C ' ' CD1' ' A' ' 113' ' ' PHE . 14.2 p -51.49 -53.54 36.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 108.272 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.886 ' HA ' ' CE1' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -57.45 -68.62 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -44.41 -28.24 0.53 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.145 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.484 ' HB2' ' O ' ' A' ' 126' ' ' CYS . 7.2 mttt -63.46 -33.74 76.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.69 ' HB3' ' CD2' ' A' ' 113' ' ' PHE . . . -71.35 -41.05 70.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.793 ' N ' ' CZ ' ' A' ' 177' ' ' PHE . 0.2 OUTLIER -48.17 -43.67 31.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.653 ' O ' ' HB ' ' A' ' 136' ' ' THR . 5.6 m-20 -63.84 -50.72 67.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.491 ' C ' HD23 ' A' ' 109' ' ' LEU . 6.9 mm-40 -53.81 -63.86 1.01 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 110.294 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.755 ' HA ' ' CD2' ' A' ' 109' ' ' LEU . 0.2 OUTLIER -53.91 -36.75 31.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . 0.47 ' HB2' ' SD ' ' A' ' 148' ' ' MET . 0.1 OUTLIER -78.86 4.14 14.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' THR . . . . . 0.653 ' HB ' ' O ' ' A' ' 132' ' ' ASP . 0.6 OUTLIER -121.08 -18.36 7.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.366 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.702 ' C ' ' HD3' ' A' ' 139' ' ' PRO . . . -99.57 -51.21 3.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 0.821 ' CZ ' ' CD2' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -118.78 57.39 3.24 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.702 ' HD3' ' C ' ' A' ' 137' ' ' ALA . 18.3 Cg_endo -74.97 147.27 33.82 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.413 1.744 . . . . 0.0 110.968 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . 0.841 ' N ' ' CB ' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 167.67 -154.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . 0.609 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 11.5 m-20 -96.82 -111.25 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' MET . . . . . 0.585 ' HA ' ' CE2' ' A' ' 185' ' ' TYR . 5.0 ptt? -60.68 -38.45 85.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . 0.58 ' HG2' ' HB3' ' A' ' 140' ' ' ARG . 0.0 OUTLIER -63.2 -57.92 8.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.278 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . 0.841 ' CB ' ' N ' ' A' ' 140' ' ' ARG . 2.4 t30 -69.73 -59.43 2.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.627 ' OD2' ' CE1' ' A' ' 185' ' ' TYR . 77.3 m-20 -40.44 -53.03 2.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 142' ' ' MET . 11.4 ttpt -62.42 -33.83 75.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.561 ' N ' ' O ' ' A' ' 144' ' ' ASN . . . -61.43 -55.1 35.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' MET . . . . . 0.61 ' HE1' ' CD2' ' A' ' 177' ' ' PHE . 1.1 mtp -48.25 -57.86 5.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 111.031 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.441 ' O ' ' OG1' ' A' ' 152' ' ' THR . 9.4 mp -53.45 -43.61 68.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 109.349 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . 0.423 HD12 ' CB ' ' A' ' 97' ' ' MET . 0.4 OUTLIER -52.62 -31.9 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.269 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' MET . . . . . 0.774 ' O ' ' CD2' ' A' ' 155' ' ' LEU . 40.5 mmm -60.82 -54.81 40.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 111.03 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' THR . . . . . 0.779 ' HB ' ' HA ' ' A' ' 174' ' ' THR . 43.1 p -48.23 -40.58 24.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.419 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' MET . . . . . 0.772 ' SD ' ' O ' ' A' ' 153' ' ' MET . 0.0 OUTLIER -67.83 -27.8 67.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.674 HD12 ' N ' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -58.82 -50.94 72.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 109.281 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 1.001 ' H ' ' CD2' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -55.05 -55.56 29.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . 0.937 ' O ' ' O ' ' A' ' 159' ' ' VAL . . . -60.49 -51.31 70.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 156' ' ' ALA . 4.8 tmtt? -37.61 -42.93 0.58 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . 0.958 ' O ' ' N ' ' A' ' 163' ' ' ALA . 21.9 mmmt -81.3 -63.89 1.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . 0.937 ' O ' ' O ' ' A' ' 156' ' ' ALA . 2.4 p -84.58 155.07 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.247 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . 0.696 ' N ' HG21 ' A' ' 159' ' ' VAL . . . 65.46 34.76 7.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 165.36 -13.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.024 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . 0.629 ' CB ' ' O ' ' A' ' 158' ' ' LYS . 0.2 OUTLIER -152.69 -39.58 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.569 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 0.958 ' N ' ' O ' ' A' ' 158' ' ' LYS . . . -110.12 98.18 33.73 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' A' ' 162' ' ' HIS . 18.4 Cg_endo -74.99 99.55 1.27 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.512 1.796 . . . . 0.0 110.992 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 1.2 m -141.77 -76.32 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.039 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.57 91.86 2.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . 0.75 ' C ' HD23 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -55.03 -23.18 18.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . 0.674 ' N ' HD11 ' A' ' 167' ' ' LEU . 0.0 OUTLIER -58.84 -67.86 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . 0.473 ' O ' ' OG1' ' A' ' 173' ' ' THR . 21.7 t70 -54.33 -34.61 61.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' VAL . . . . . 0.946 HG11 ' N ' ' A' ' 171' ' ' PHE . 0.4 OUTLIER -49.47 -53.55 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . 1.157 ' CD2' ' HB2' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -60.07 -48.64 80.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.148 . . . . 0.0 111.005 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 172' ' ' HIS . . . . . 0.672 ' O ' ' CB ' ' A' ' 176' ' ' ASN . 0.5 OUTLIER -53.17 -37.32 61.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.568 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 173' ' ' THR . . . . . 0.936 ' CG2' ' HG ' ' A' ' 155' ' ' LEU . 2.9 m -53.6 -51.11 64.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 110.421 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 174' ' ' THR . . . . . 0.779 ' HA ' ' HB ' ' A' ' 152' ' ' THR . 28.3 p -57.25 -68.62 0.21 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 0.0 110.395 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 175' ' ' VAL . . . . . 0.816 HG23 ' H ' ' A' ' 21' ' ' VAL . 55.7 t -74.92 15.03 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . 0.719 ' ND2' ' CD1' ' A' ' 177' ' ' PHE . 0.1 OUTLIER -77.13 -56.68 4.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . 0.793 ' CZ ' ' N ' ' A' ' 131' ' ' LEU . 5.2 m-30 -63.33 -53.84 46.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.433 1.083 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . 0.565 HD12 HD23 ' A' ' 90' ' ' LEU . 3.2 mt -51.06 -50.31 25.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . 0.403 ' OD1' ' C ' ' A' ' 179' ' ' ASN . 12.0 t-20 -58.41 -39.65 80.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 180' ' ' GLN . . . . . 0.436 ' HG3' ' NH1' ' A' ' 124' ' ' ARG . 0.0 OUTLIER -93.76 0.25 56.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.295 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.791 ' N ' ' O ' ' A' ' 177' ' ' PHE . 44.5 t30 -98.07 -148.49 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . 0.555 ' CD1' ' N ' ' A' ' 182' ' ' LEU . 0.0 OUTLIER -96.24 49.19 1.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.336 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 183' ' ' PHE . . . . . 0.67 ' CE1' ' CG2' ' A' ' 16' ' ' ILE . 0.0 OUTLIER 24.58 97.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.087 . . . . 0.0 110.991 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 184' ' ' SER . . . . . 0.438 ' CB ' ' HB2' ' A' ' 187' ' ' ARG . 3.5 m 65.23 90.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.043 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 185' ' ' TYR . . . . . 0.627 ' CE1' ' OD2' ' A' ' 145' ' ' ASP . 0.1 OUTLIER -41.71 -56.05 2.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 186' ' ' VAL . . . . . . . . . . . . . 18.3 t -47.75 -38.19 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . 0.479 ' O ' ' CG2' ' A' ' 190' ' ' VAL . 0.0 OUTLIER -54.12 -45.11 71.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.334 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 188' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -63.8 -44.03 94.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.9 -53.73 53.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . 0.479 ' CG2' ' O ' ' A' ' 187' ' ' ARG . 28.0 m -60.94 -43.35 95.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 191' ' ' ARG . . . . . 0.424 ' N ' HG21 ' A' ' 190' ' ' VAL . 3.3 ttt-85 -54.86 -46.05 74.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.248 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -58.08 -48.27 80.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.03 147.17 43.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 194' ' ' MET . . . . . . . . . . . . . 12.0 ttp 69.1 141.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.981 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 ppp? . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.533 0.206 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -177.97 150.52 0.62 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.5 p -132.56 98.22 4.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.039 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -132.15 144.96 51.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 110.303 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.7 p -129.74 115.9 35.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.5 m -168.35 143.7 3.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.018 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -174.99 122.42 0.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -153.07 -170.74 19.67 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.483 1.114 . . . . 0.0 111.038 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.8 m -135.79 -176.19 4.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.746 . . . . 0.0 109.986 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -145.79 117.5 0.99 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.509 1.131 . . . . 0.0 110.966 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -171.57 105.47 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 132.44 -100.21 0.41 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -170.03 -44.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 0.759 . . . . 0.0 109.299 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.461 ' CG ' ' HB2' ' A' ' 183' ' ' PHE . 1.7 mptp? -108.06 26.52 10.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -60.55 -44.98 95.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.61 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.56 HG22 ' CZ ' ' A' ' 183' ' ' PHE . 5.1 tp -53.58 -32.34 20.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.647 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 3.3 m -52.75 -39.47 62.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.392 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -50.52 -44.12 56.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 23' ' ' GLY . 4.2 mm? -64.8 -30.62 71.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.734 HD12 ' CD2' ' A' ' 90' ' ' LEU . 0.1 OUTLIER -59.46 -49.13 78.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.867 ' H ' HG23 ' A' ' 175' ' ' VAL . 0.4 OUTLIER -54.94 -58.28 4.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.793 ' CD2' ' HA3' ' A' ' 39' ' ' GLY . 5.1 t80 -61.62 -29.76 70.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.978 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -75.68 -35.43 46.17 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 1.016 ' CE2' ' HA ' ' A' ' 91' ' ' ALA . 7.3 t80 -52.58 -58.71 5.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 0.748 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.833 ' HB2' ' CZ ' ' A' ' 171' ' ' PHE . 0.3 OUTLIER -58.5 -41.05 84.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.256 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.505 ' HB2' ' CD1' ' A' ' 35' ' ' LEU . 1.6 tt0 -54.45 -34.05 60.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.575 ' CB ' ' O ' ' A' ' 88' ' ' ARG . 3.4 t -70.68 -99.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.975 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.425 ' N ' ' OG ' ' A' ' 27' ' ' SER . 10.2 t -136.41 19.37 3.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 110.049 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.591 ' HA3' ' CE1' ' A' ' 24' ' ' PHE . . . -57.33 -99.54 0.01 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.525 1.141 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.488 ' SG ' ' CB ' ' A' ' 160' ' ' ALA . 0.9 OUTLIER -97.94 -96.3 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.515 ' O ' ' N ' ' A' ' 34' ' ' GLU . 9.2 p -146.54 153.03 39.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.371 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.459 ' O ' HD21 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -42.35 -53.63 4.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 110.335 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.449 ' O ' ' CG2' ' A' ' 37' ' ' VAL . 35.5 tt0 -58.72 -27.83 65.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.631 ' CG ' HD22 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -66.28 -56.76 9.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 110.326 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.731 ' HG ' ' CD1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -47.56 -32.31 5.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.601 ' N ' ' CD2' ' A' ' 35' ' ' LEU . 1.1 tp10 -69.95 -46.92 64.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.516 ' O ' ' CG ' ' A' ' 40' ' ' ARG . 2.2 t -64.38 -57.85 9.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 1.072 ' HB2' ' CD2' ' A' ' 171' ' ' PHE . 5.2 mt -67.4 -40.42 85.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.793 ' HA3' ' CD2' ' A' ' 22' ' ' PHE . . . -47.94 -54.05 12.79 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.556 ' HG3' ' O ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -56.86 74.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.77 . . . . 0.0 110.32 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.615 ' N ' ' O ' ' A' ' 39' ' ' GLY . 0.3 OUTLIER -119.37 119.74 34.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.335 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -100.5 106.67 44.27 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.496 ' O ' ' C ' ' A' ' 44' ' ' VAL . 18.5 Cg_endo -74.95 -35.4 3.21 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.478 1.778 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.544 ' O ' ' CB ' ' A' ' 45' ' ' GLN . 2.1 p 33.2 -150.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.143 . . . . 0.0 109.332 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.544 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 0.8 OUTLIER 156.64 164.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.28 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 47' ' ' TYR . . . -155.41 106.45 2.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.562 ' O ' ' CB ' ' A' ' 48' ' ' TRP . 40.9 t80 -34.53 134.07 0.23 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 111.008 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.562 ' CB ' ' O ' ' A' ' 47' ' ' TYR . 1.0 OUTLIER 156.18 127.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 107.956 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 50' ' ' ALA . 6.5 tt0 -152.87 84.99 1.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 110.242 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -36.46 115.72 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.474 ' O ' ' C ' ' A' ' 52' ' ' LEU . 0.5 OUTLIER -72.96 111.97 8.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.474 ' C ' ' O ' ' A' ' 51' ' ' ASP . 4.3 mm? -34.33 145.4 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -161.02 167.38 26.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.297 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.77 165.38 0.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -70.02 95.13 0.92 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 71.78 -68.16 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 76.2 -58.65 0.53 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 110.287 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.2 t -153.49 149.52 27.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.388 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -99.24 113.5 25.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' A' ' 62' ' ' GLN . . . -111.32 63.73 0.27 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.532 1.145 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.4 m 69.8 -63.13 0.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 0.772 . . . . 0.0 109.979 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 60' ' ' GLY . 0.9 OUTLIER -175.97 115.81 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.319 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -166.87 167.91 14.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.8 t 64.81 120.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.969 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 66' ' ' SER . 3.0 ptt-85 -151.38 127.68 10.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 110.269 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 65' ' ' ARG . 88.1 p -36.42 149.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.036 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -143.84 171.46 14.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.097 . . . . 0.0 110.986 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -90.88 150.42 21.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -156.75 161.03 39.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 147.17 119.63 1.15 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.17 151.04 32.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 0.0 110.319 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 15.9 tt -170.54 114.81 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.9 101.85 3.9 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -61.62 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.497 1.788 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 175.36 -57.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.1 m -39.33 122.72 1.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.005 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -167.71 140.26 3.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.59 169.73 7.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.996 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -141.39 134.94 29.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 110.307 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -158.99 -159.47 0.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -108.55 -18.73 13.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 110.334 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.3 mt -73.23 -36.95 51.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.462 ' CG2' HG12 ' A' ' 16' ' ' ILE . 48.7 mt -52.07 -43.6 37.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.496 ' O ' ' HB1' ' A' ' 87' ' ' ALA . 37.9 m80 -63.0 -33.38 75.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.581 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.411 ' HA ' ' NH2' ' A' ' 88' ' ' ARG . 1.5 t-20 -59.0 -53.18 61.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.427 HG21 ' N ' ' A' ' 87' ' ' ALA . 7.0 tp -62.15 -31.31 51.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.545 ' CB ' ' HA ' ' A' ' 20' ' ' LEU . . . -54.05 -48.56 70.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.575 ' O ' ' CB ' ' A' ' 27' ' ' SER . 2.6 mtm105 -64.6 -49.19 72.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.335 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.601 ' CE1' HG23 ' A' ' 93' ' ' ILE . 16.4 t-80 -51.69 -19.87 1.8 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.583 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.734 ' CD2' HD12 ' A' ' 20' ' ' LEU . 1.4 tp -54.08 -66.73 0.34 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 1.016 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . . . -56.96 -41.9 79.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.2 -43.5 67.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.331 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.601 HG23 ' CE1' ' A' ' 89' ' ' HIS . 1.4 pt -69.04 -27.36 35.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.433 ' N ' HG13 ' A' ' 93' ' ' ILE . . . -60.32 -56.48 24.25 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.514 1.134 . . . . 0.0 111.022 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -67.02 -49.77 64.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 0.781 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.483 ' HG3' ' N ' ' A' ' 97' ' ' MET . 0.4 OUTLIER -57.26 -40.35 77.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 110.283 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.597 ' HB2' ' O ' ' A' ' 93' ' ' ILE . 1.6 mmt -55.11 -50.11 70.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -40.48 -28.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.443 ' N ' ' C ' ' A' ' 97' ' ' MET . 15.1 t60 -55.07 -47.13 75.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.605 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.457 ' N ' ' O ' ' A' ' 97' ' ' MET . 0.7 OUTLIER -145.04 86.6 1.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.608 ' CG2' ' O ' ' A' ' 101' ' ' ILE . 0.1 OUTLIER -141.87 102.71 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.938 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 4.1 tm0? 162.09 47.64 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.938 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.2 Cg_endo -75.01 -15.36 20.76 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.446 1.761 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.75 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 1.5 m -161.92 8.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.39 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.75 ' HB2' ' O ' ' A' ' 104' ' ' THR . 0.2 OUTLIER 99.85 39.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.113 . . . . 0.0 109.288 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.76 ' HA ' ' CZ ' ' A' ' 138' ' ' PHE . 4.6 m -57.25 -75.05 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.643 ' O ' ' CB ' ' A' ' 111' ' ' ALA . 42.1 ptt85 -44.68 -45.9 9.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.665 ' O ' ' HB3' ' A' ' 112' ' ' GLN . 1.4 tt0 -68.09 -30.05 69.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.702 HD11 ' N ' ' A' ' 110' ' ' ALA . 0.9 OUTLIER -65.58 -73.16 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 1.104 ' O ' ' CD2' ' A' ' 113' ' ' PHE . . . -53.91 -48.41 70.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.643 ' CB ' ' O ' ' A' ' 107' ' ' ARG . . . -63.3 -15.97 58.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.672 ' CG ' ' O ' ' A' ' 109' ' ' LEU . 3.0 pt20 -59.06 -49.98 75.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 1.104 ' CD2' ' O ' ' A' ' 110' ' ' ALA . 11.9 p90 -67.42 -46.83 72.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 111.03 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.806 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 1.6 ptt? -50.91 118.63 3.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 116' ' ' GLY . 5.3 t-20 -145.33 -163.94 1.83 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 109.275 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 115' ' ' ASN . . . 35.18 -139.55 0.2 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.504 1.127 . . . . 0.0 110.971 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.461 ' O ' ' HB3' ' A' ' 118' ' ' LEU . 4.0 m -155.2 72.92 0.84 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.775 . . . . 0.0 109.973 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.461 ' HB3' ' O ' ' A' ' 117' ' ' SER . 0.0 OUTLIER 73.6 91.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 109.276 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.94 139.59 41.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.012 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 62.74 27.49 16.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.302 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.402 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 0.1 OUTLIER 60.84 76.53 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 110.35 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.402 ' CB ' ' O ' ' A' ' 121' ' ' GLU . 15.8 t0 75.01 108.62 0.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.518 ' CG ' ' HB2' ' A' ' 126' ' ' CYS . 4.0 ptpp? -65.54 -60.16 3.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.58 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 3.5 mtp180 71.45 -50.34 0.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.347 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.482 ' O ' ' N ' ' A' ' 129' ' ' LYS . 12.0 p-10 -67.0 -38.61 86.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.546 ' HB3' ' CD1' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -52.96 -56.06 18.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 108.279 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.854 ' HA ' ' CZ ' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -53.84 -63.33 1.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.471 ' CB ' ' CD ' ' A' ' 180' ' ' GLN . . . -50.2 -34.09 21.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 125' ' ' ASN . 0.0 OUTLIER -58.27 -29.51 65.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.861 ' HB3' ' CD2' ' A' ' 113' ' ' PHE . . . -72.75 -41.27 65.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.733 ' CD1' ' CD2' ' A' ' 177' ' ' PHE . 0.1 OUTLIER -42.92 -50.23 5.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.517 ' O ' ' CG2' ' A' ' 136' ' ' THR . 6.4 m-20 -69.83 -42.49 73.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.767 ' O ' ' OG1' ' A' ' 136' ' ' THR . 3.6 mm-40 -57.31 -60.82 3.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.785 ' CG2' ' CE2' ' A' ' 138' ' ' PHE . 0.1 OUTLIER -57.0 -33.42 42.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' A' ' 135' ' ' LYS . 9.8 ttpt -81.16 2.5 27.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' THR . . . . . 0.767 ' OG1' ' O ' ' A' ' 133' ' ' GLU . 2.8 p -117.42 -16.44 10.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 110.431 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.592 ' HB1' ' CE1' ' A' ' 138' ' ' PHE . . . -104.07 -53.14 2.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 0.785 ' CE2' ' CG2' ' A' ' 134' ' ' VAL . 0.1 OUTLIER -124.87 62.71 36.66 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.712 ' C ' ' HB2' ' A' ' 144' ' ' ASN . 18.2 Cg_endo -75.04 158.66 41.91 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.495 1.787 . . . . 0.0 110.958 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . 0.769 ' N ' ' CB ' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 163.34 -167.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.268 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . 0.625 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 1.7 m-20 -85.09 -105.08 0.05 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' MET . . . . . 0.434 ' O ' ' OH ' ' A' ' 185' ' ' TYR . 4.5 mtp -66.31 -31.88 72.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . 0.45 ' O ' ' HB1' ' A' ' 147' ' ' ALA . 9.4 mt-10 -65.08 -61.92 1.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . 0.769 ' CB ' ' N ' ' A' ' 140' ' ' ARG . 1.8 t30 -67.05 -56.41 10.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.625 ' CB ' ' O ' ' A' ' 141' ' ' ASP . 95.2 m-20 -38.45 -55.17 1.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.439 ' O ' HG12 ' A' ' 150' ' ' ILE . 12.6 ttpt -66.1 -31.91 73.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.161 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.738 ' O ' ' CG1' ' A' ' 150' ' ' ILE . . . -61.66 -46.88 87.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' MET . . . . . 0.893 ' HA ' ' HG2' ' A' ' 151' ' ' MET . 20.0 mtm -58.79 -45.56 89.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.575 ' O ' HG23 ' A' ' 152' ' ' THR . 1.4 mp -58.94 -53.21 60.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . 0.738 ' CG1' ' O ' ' A' ' 147' ' ' ALA . 36.3 pt -51.58 -24.46 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' MET . . . . . 0.893 ' HG2' ' HA ' ' A' ' 148' ' ' MET . 0.1 OUTLIER -55.57 -56.93 14.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 111.018 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' THR . . . . . 1.1 ' OG1' ' C ' ' A' ' 173' ' ' THR . 1.0 OUTLIER -60.91 -47.26 87.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.453 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' MET . . . . . 0.456 ' N ' HG21 ' A' ' 152' ' ' THR . 14.0 mtt -59.2 -28.62 66.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 111.03 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.659 ' C ' ' CD2' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -58.6 -51.54 69.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.833 ' O ' ' N ' ' A' ' 159' ' ' VAL . 5.0 mp -51.4 -60.03 3.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.252 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . 0.62 ' O ' ' HB2' ' A' ' 161' ' ' SER . . . -54.63 -56.69 16.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.753 ' HA ' ' CB ' ' A' ' 161' ' ' SER . 1.3 tmtt? -46.64 -44.7 18.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . 0.607 ' O ' ' CB ' ' A' ' 162' ' ' HIS . 5.8 mptt -81.25 -43.67 18.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . 1.066 ' O ' ' N ' ' A' ' 163' ' ' ALA . 15.5 t -72.42 -127.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . 0.635 ' H ' HG13 ' A' ' 159' ' ' VAL . . . -27.3 -61.99 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.256 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' SER . . . . . 0.753 ' CB ' ' HA ' ' A' ' 157' ' ' LYS . 0.3 OUTLIER -51.23 -11.54 0.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.166 . . . . 0.0 109.978 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . 0.966 ' N ' ' O ' ' A' ' 159' ' ' VAL . 0.2 OUTLIER -151.75 -51.64 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.636 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 1.066 ' N ' ' O ' ' A' ' 159' ' ' VAL . . . -106.31 101.49 35.28 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' PRO . . . . . 0.434 ' HD3' ' O ' ' A' ' 162' ' ' HIS . 18.5 Cg_endo -74.98 46.52 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.472 1.775 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 3.1 m -97.66 -15.43 20.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.043 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . 0.578 ' HB3' ' HB2' ' A' ' 169' ' ' ASP . 2.2 mp -144.01 117.01 8.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . 0.58 ' CD2' HD22 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -95.12 -81.71 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . 0.511 ' HG3' ' N ' ' A' ' 169' ' ' ASP . 21.7 ptt180 -53.89 -40.77 66.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 0.0 110.325 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . 0.578 ' HB2' ' HB3' ' A' ' 166' ' ' LEU . 0.0 OUTLIER -60.2 -44.3 95.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' VAL . . . . . 0.558 ' CG2' ' HB ' ' A' ' 159' ' ' VAL . 1.2 t -52.53 -58.81 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . 1.072 ' CD2' ' HB2' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -51.87 -53.32 41.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.434 1.084 . . . . 0.0 111.007 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 172' ' ' HIS . . . . . 0.654 ' O ' ' CB ' ' A' ' 176' ' ' ASN . 0.5 OUTLIER -51.06 -36.71 41.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.552 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 173' ' ' THR . . . . . 1.1 ' C ' ' OG1' ' A' ' 152' ' ' THR . 2.8 m -51.12 -57.69 8.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.413 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 174' ' ' THR . . . . . 0.763 ' N ' ' OG1' ' A' ' 152' ' ' THR . 24.9 p -53.15 -65.95 0.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.398 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 175' ' ' VAL . . . . . 0.867 HG23 ' H ' ' A' ' 21' ' ' VAL . 20.8 t -68.51 1.89 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . 0.772 ' HB3' ' O ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -80.35 -59.4 2.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . 0.738 ' CD2' ' O ' ' A' ' 148' ' ' MET . 0.5 OUTLIER -57.51 -45.5 84.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . 0.617 HD12 HD23 ' A' ' 90' ' ' LEU . 7.7 mt -53.76 -56.8 7.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . 0.551 ' OD1' ' C ' ' A' ' 179' ' ' ASN . 0.7 OUTLIER -60.32 -36.48 78.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 180' ' ' GLN . . . . . 0.516 ' N ' ' OD1' ' A' ' 179' ' ' ASN . 4.0 mm-40 -81.27 -13.72 58.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.686 ' N ' ' O ' ' A' ' 177' ' ' PHE . 36.3 t30 -102.4 -151.2 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . 0.559 ' O ' ' C ' ' A' ' 183' ' ' PHE . 0.0 OUTLIER -94.29 52.71 1.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 183' ' ' PHE . . . . . 0.611 ' CG ' ' N ' ' A' ' 184' ' ' SER . 0.4 OUTLIER 21.37 -89.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 184' ' ' SER . . . . . 0.611 ' N ' ' CG ' ' A' ' 183' ' ' PHE . 4.4 m -69.6 110.63 4.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.963 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 185' ' ' TYR . . . . . 0.601 ' CG ' ' N ' ' A' ' 186' ' ' VAL . 0.5 OUTLIER -93.88 -92.4 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 111.05 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 186' ' ' VAL . . . . . 0.601 ' N ' ' CG ' ' A' ' 185' ' ' TYR . 8.9 p -52.65 -47.18 50.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 187' ' ' ARG . 0.0 OUTLIER -51.82 -42.5 62.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 188' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 184' ' ' SER . 0.5 OUTLIER -58.68 -51.18 71.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.314 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . 0.494 ' O ' ' OD1' ' A' ' 192' ' ' ASN . 0.8 OUTLIER -56.88 -44.79 82.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 72.4 t -61.33 -42.36 93.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 1.1 ttp85 -54.23 -55.35 28.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.352 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 192' ' ' ASN . . . . . 0.535 ' C ' ' ND2' ' A' ' 192' ' ' ASN . 0.3 OUTLIER -63.65 -43.24 97.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 193' ' ' GLU . . . . . 0.49 ' N ' ' CG ' ' A' ' 192' ' ' ASN . 0.4 OUTLIER -120.32 99.75 6.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 110.311 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 194' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -68.0 84.04 0.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 111.016 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 109.324 -179.981 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.553 0.216 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -151.56 -61.0 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.087 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 68.53 171.76 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 110.04 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -163.9 87.21 0.5 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.317 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.2 p -170.8 49.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 p -164.73 123.99 1.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.048 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -150.01 105.57 3.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -38.71 110.29 0.13 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.424 1.078 . . . . 0.0 110.992 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.453 ' HB3' ' CD2' ' A' ' 15' ' ' HIS . 4.4 m -139.43 128.09 23.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 0.0 110.022 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -162.03 35.26 0.36 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.472 1.108 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.01 -176.39 2.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 0.764 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 61.97 -91.43 0.07 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 175.93 -62.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.766 . . . . 0.0 109.273 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -99.54 50.04 0.93 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.275 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.453 ' CD2' ' HB3' ' A' ' 9' ' ' SER . 0.4 OUTLIER -62.2 -49.9 73.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.607 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.536 ' HB ' ' CZ ' ' A' ' 183' ' ' PHE . 0.9 OUTLIER -54.67 -35.61 33.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.677 ' O ' HG23 ' A' ' 175' ' ' VAL . 8.9 m -55.57 -62.74 1.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.394 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.463 ' O ' HG11 ' A' ' 21' ' ' VAL . 52.9 t0 -46.0 -35.61 4.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.589 HD23 ' CE1' ' A' ' 84' ' ' HIS . 0.2 OUTLIER -63.15 -32.38 73.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.661 ' CD2' ' CD2' ' A' ' 90' ' ' LEU . 0.9 OUTLIER -63.26 -62.6 1.59 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.981 ' HB ' ' CG2' ' A' ' 175' ' ' VAL . 2.9 p -56.89 -56.77 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.67 ' HA ' ' CE2' ' A' ' 171' ' ' PHE . 0.7 OUTLIER -56.9 -40.77 76.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.962 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -74.88 -32.83 56.44 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.469 1.106 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 1.212 ' CE2' ' HA ' ' A' ' 91' ' ' ALA . 0.3 OUTLIER -56.91 -54.3 48.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 0.77 . . . . 0.0 111.007 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.932 ' HB2' ' CZ ' ' A' ' 171' ' ' PHE . 0.6 OUTLIER -55.87 -43.98 77.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.354 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.507 ' CG ' HD23 ' A' ' 35' ' ' LEU . 12.4 tm0? -61.25 -32.66 72.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.277 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.403 ' HB3' ' O ' ' A' ' 24' ' ' PHE . 35.9 t -63.59 -88.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.964 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.0 t -143.64 29.44 1.39 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 110.008 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.462 ' HA3' ' CE1' ' A' ' 24' ' ' PHE . . . -78.67 -137.63 1.29 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.542 1.151 . . . . 0.0 111.012 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.438 ' H ' ' CD1' ' A' ' 25' ' ' LEU . 30.0 t -55.0 -98.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.487 ' O ' ' N ' ' A' ' 34' ' ' GLU . 99.6 m -142.47 152.78 43.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 110.415 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.579 ' O ' ' CD2' ' A' ' 35' ' ' LEU . 2.6 tmm_? -42.18 -59.14 1.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.343 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.498 ' O ' ' HB ' ' A' ' 37' ' ' VAL . 14.6 tt0 -53.32 -26.33 18.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.266 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.592 ' CG ' HD22 ' A' ' 25' ' ' LEU . 3.2 tp10 -67.69 -52.73 34.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.659 ' O ' ' CE1' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -44.71 -43.6 8.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.632 ' N ' ' HG ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -78.92 -31.69 45.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.649 ' CG1' ' N ' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -61.47 -59.45 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.718 ' HB3' ' CD2' ' A' ' 171' ' ' PHE . 0.1 OUTLIER -81.97 -39.36 23.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.639 ' HA3' ' O ' ' A' ' 35' ' ' LEU . . . -49.24 -52.54 22.62 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.638 ' O ' ' CG ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -54.9 92.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 0.784 . . . . 0.0 110.346 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -141.46 141.3 33.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 3.1 mm? -99.75 133.39 21.79 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 42' ' ' LEU . 18.2 Cg_endo -74.96 85.02 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.503 1.791 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 43' ' ' PRO . 15.9 t -39.91 -46.24 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 69.72 -173.31 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.462 ' O ' ' C ' ' A' ' 47' ' ' TYR . . . 54.92 65.57 1.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.324 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.506 ' O ' ' C ' ' A' ' 48' ' ' TRP . 5.9 t80 -32.83 137.63 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 111.054 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.506 ' C ' ' O ' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -34.95 143.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 108.001 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 50' ' ' ALA . 2.7 pt-20 -106.67 110.0 22.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -36.95 153.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.475 ' O ' ' C ' ' A' ' 52' ' ' LEU . 4.8 p-10 -151.96 -50.38 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.475 ' C ' ' O ' ' A' ' 51' ' ' ASP . 0.3 OUTLIER -34.81 140.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -174.77 137.59 0.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.295 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -152.03 148.94 28.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -165.05 96.55 0.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.288 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.47 149.41 51.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -124.38 67.73 1.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.0 t -152.99 144.53 23.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 110.4 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 58.52 -174.26 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -61.3 136.23 47.89 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.4 p 177.22 -48.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 0.777 . . . . 0.0 109.99 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -54.08 -176.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 53.39 -172.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.3 104.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.978 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.522 ' O ' ' CB ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -99.5 172.53 7.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 65' ' ' ARG . 2.2 m 157.39 125.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.986 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -157.36 172.31 18.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -126.88 159.32 34.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -109.23 -76.91 0.6 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.325 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 102.64 168.07 26.44 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.481 1.113 . . . . 0.0 111.027 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -149.07 108.32 3.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 0.793 . . . . 0.0 110.319 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.8 pt -90.43 171.15 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -134.86 136.63 25.56 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.315 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -177.57 3.55 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.502 1.79 . . . . 0.0 110.985 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -63.52 -174.85 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.1 -52.12 0.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.143 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 176.36 -43.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.263 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 68.23 133.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 110.014 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 177.26 179.54 0.24 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 110.273 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.528 ' O ' ' CB ' ' A' ' 81' ' ' GLU . 4.3 mp0 -141.48 -141.27 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.528 ' CB ' ' O ' ' A' ' 80' ' ' GLU . 0.8 OUTLIER 88.91 -66.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 110.285 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.3 pt -98.11 -29.48 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.353 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.402 ' O ' HG21 ' A' ' 86' ' ' ILE . 14.5 mm -52.14 -41.86 34.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.589 ' CE1' HD23 ' A' ' 19' ' ' LEU . 92.8 m-70 -61.35 -43.33 99.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.605 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.467 ' O ' ' CG ' ' A' ' 88' ' ' ARG . 16.7 t-20 -58.9 -49.74 76.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.472 HG12 ' CG2' ' A' ' 186' ' ' VAL . 1.0 OUTLIER -63.37 -29.09 46.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.608 ' O ' ' HB2' ' A' ' 90' ' ' LEU . . . -57.52 -56.43 21.96 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.525 1.141 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.467 ' CG ' ' O ' ' A' ' 85' ' ' ASN . 2.8 ptp180 -63.53 -36.32 83.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.587 ' CD2' HG13 ' A' ' 93' ' ' ILE . 19.4 t-160 -61.18 -22.21 64.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.575 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.661 ' CD2' ' CD2' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -58.22 -60.65 3.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 1.212 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . . . -54.37 -55.47 28.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.581 1.175 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -52.08 -31.37 30.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.587 HG13 ' CD2' ' A' ' 89' ' ' HIS . 5.1 mt -69.12 -36.98 75.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -59.47 -51.55 58.43 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -54.12 -53.32 54.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 0.737 . . . . 0.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.471 ' HG2' ' HA ' ' A' ' 93' ' ' ILE . 12.6 pt-20 -64.97 -35.09 80.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.481 ' HB2' ' O ' ' A' ' 93' ' ' ILE . 6.7 ttm -46.77 -50.64 17.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.958 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.5 ' N ' HD13 ' A' ' 101' ' ' ILE . 0.5 OUTLIER -40.79 -28.59 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.459 ' N ' ' C ' ' A' ' 97' ' ' MET . 12.9 t-160 -53.05 -43.57 66.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.587 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.472 ' N ' ' O ' ' A' ' 97' ' ' MET . 15.3 m-80 -144.3 87.48 1.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.654 ' CG2' ' O ' ' A' ' 101' ' ' ILE . 1.0 OUTLIER -125.13 82.65 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.915 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 0.0 OUTLIER 153.67 52.02 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.915 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.1 Cg_endo -75.04 10.24 1.79 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.51 1.795 . . . . 0.0 110.955 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.709 ' O ' ' CB ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER 159.62 3.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.431 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.709 ' CB ' ' O ' ' A' ' 104' ' ' THR . 3.1 tt 106.58 26.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.763 ' HA ' ' CE2' ' A' ' 138' ' ' PHE . 1.0 OUTLIER -62.91 -63.51 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.589 ' CB ' HG21 ' A' ' 101' ' ' ILE . 0.0 OUTLIER -52.63 -41.98 64.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 110.3 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.606 ' O ' ' HB3' ' A' ' 112' ' ' GLN . 0.0 OUTLIER -61.83 -29.98 70.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.77 HD13 ' N ' ' A' ' 134' ' ' VAL . 0.7 OUTLIER -62.03 -73.85 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 1.131 ' O ' ' CD2' ' A' ' 113' ' ' PHE . . . -55.03 -47.83 74.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.595 ' O ' ' CG ' ' A' ' 114' ' ' MET . . . -61.84 -13.79 27.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.747 ' HG2' ' N ' ' A' ' 113' ' ' PHE . 1.2 pt20 -62.12 -47.4 84.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 110.324 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 1.131 ' CD2' ' O ' ' A' ' 110' ' ' ALA . 7.7 p90 -66.41 -42.41 87.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.849 ' HG3' ' O ' ' A' ' 114' ' ' MET . 0.0 OUTLIER -50.61 83.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 110.997 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.567 ' N ' ' O ' ' A' ' 113' ' ' PHE . 6.0 t30 -141.76 41.09 1.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -136.99 -163.73 9.84 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.532 1.145 . . . . 0.0 111.021 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.476 ' O ' ' CB ' ' A' ' 118' ' ' LEU . 0.2 OUTLIER -156.8 30.17 0.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 0.779 . . . . 0.0 109.972 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.536 ' CB ' ' OD2' ' A' ' 169' ' ' ASP . 0.2 OUTLIER 86.37 99.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.51 ' O ' ' CB ' ' A' ' 120' ' ' GLU . 0.7 OUTLIER -143.18 133.56 24.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.975 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.558 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 1.1 tp10 86.62 -33.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.083 . . . . 0.0 110.282 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.558 ' CB ' ' O ' ' A' ' 120' ' ' GLU . 1.7 mt-10 155.52 67.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 123' ' ' LYS . 1.8 m-20 54.11 78.75 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 122' ' ' ASP . 4.8 mtmt -35.69 101.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.549 ' HA ' ' CD1' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -114.24 -14.99 12.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.324 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.442 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 76.5 m-20 -68.38 -43.27 77.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.461 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 7.8 m -53.37 -55.37 25.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 108.279 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.922 ' HA ' ' CZ ' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -52.43 -70.1 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -46.89 -33.52 4.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.461 ' HB2' ' O ' ' A' ' 126' ' ' CYS . 5.3 mttp -62.49 -24.22 67.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.776 ' HB3' ' CD2' ' A' ' 113' ' ' PHE . . . -75.16 -39.53 60.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.761 ' N ' ' CZ ' ' A' ' 177' ' ' PHE . 0.1 OUTLIER -49.08 -47.23 45.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.496 ' O ' ' CG2' ' A' ' 136' ' ' THR . 0.0 OUTLIER -71.07 -41.38 70.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.5 ' HA ' ' OG1' ' A' ' 136' ' ' THR . 0.1 OUTLIER -67.52 -59.6 3.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.1 . . . . 0.0 110.345 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.77 ' N ' HD13 ' A' ' 109' ' ' LEU . 6.4 p -48.8 -35.56 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . 0.635 ' O ' ' CD ' ' A' ' 139' ' ' PRO . 8.8 ttpt -75.43 -62.16 1.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' THR . . . . . 0.5 ' OG1' ' HA ' ' A' ' 133' ' ' GLU . 17.1 p -44.86 -25.21 0.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.417 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.538 ' C ' ' HD3' ' A' ' 139' ' ' PRO . . . -96.54 -43.84 7.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 0.763 ' CE2' ' HA ' ' A' ' 106' ' ' VAL . 0.1 OUTLIER -124.79 61.8 32.39 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 110.996 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.657 ' C ' ' HB2' ' A' ' 144' ' ' ASN . 18.4 Cg_endo -75.0 147.98 34.67 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.452 1.764 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . 0.741 ' N ' ' CB ' ' A' ' 144' ' ' ASN . 0.1 OUTLIER 165.73 -170.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.284 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . 0.665 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 13.6 m-20 -88.39 -104.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' MET . . . . . 0.524 ' CG ' ' OH ' ' A' ' 185' ' ' TYR . 4.3 ttt -65.74 -32.07 73.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . 0.434 ' O ' ' HB1' ' A' ' 147' ' ' ALA . 21.4 mp0 -67.12 -62.67 1.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.262 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . 0.741 ' CB ' ' N ' ' A' ' 140' ' ' ARG . 1.5 t-20 -65.65 -58.95 4.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.665 ' CB ' ' O ' ' A' ' 141' ' ' ASP . 50.6 t0 -40.35 -52.4 2.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.467 ' CB ' ' O ' ' A' ' 142' ' ' MET . 2.9 ttmt -68.29 -28.8 67.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.16 . . . . 0.0 109.268 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.583 ' N ' ' O ' ' A' ' 144' ' ' ASN . . . -62.58 -57.29 11.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' MET . . . . . 0.743 ' HG3' ' N ' ' A' ' 149' ' ' LEU . 0.4 OUTLIER -54.06 -48.06 70.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 110.983 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.743 ' N ' ' HG3' ' A' ' 148' ' ' MET . 0.2 OUTLIER -55.06 -41.94 72.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.132 . . . . 0.0 109.327 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . 0.42 ' N ' HD11 ' A' ' 150' ' ' ILE . 0.6 OUTLIER -56.32 -30.43 30.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.249 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' MET . . . . . 0.817 ' HB3' ' CB ' ' A' ' 110' ' ' ALA . 2.5 mmm -61.8 -52.71 63.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 110.998 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' THR . . . . . 0.777 ' OG1' ' HA ' ' A' ' 174' ' ' THR . 0.6 OUTLIER -51.53 -53.98 32.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.44 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' MET . . . . . 0.518 ' N ' ' CG2' ' A' ' 152' ' ' THR . 0.3 OUTLIER -67.15 -24.77 65.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.947 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.744 ' C ' ' CD2' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -56.71 -58.49 7.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.705 HD22 ' CE1' ' A' ' 113' ' ' PHE . 5.1 mp -49.22 -47.12 46.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . 1.08 ' O ' ' O ' ' A' ' 159' ' ' VAL . . . -64.48 -53.17 52.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.436 ' O ' ' HB3' ' A' ' 162' ' ' HIS . 0.0 OUTLIER -44.87 -45.68 10.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . 0.878 ' O ' ' N ' ' A' ' 163' ' ' ALA . 28.3 mmmt -80.45 -42.5 22.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . 1.08 ' O ' ' O ' ' A' ' 156' ' ' ALA . 61.7 t -108.47 148.7 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . 0.687 ' CB ' ' O ' ' A' ' 159' ' ' VAL . . . 101.24 -53.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' SER . . . . . 0.432 ' OG ' ' O ' ' A' ' 29' ' ' GLY . 0.2 OUTLIER -117.4 -13.01 10.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 109.995 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . 0.564 ' HB3' ' O ' ' A' ' 158' ' ' LYS . 55.5 t60 -121.94 -40.4 2.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.616 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 0.878 ' N ' ' O ' ' A' ' 158' ' ' LYS . . . -130.12 91.5 39.01 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.346 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 51.68 2.85 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.54 1.811 . . . . 0.0 110.986 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 10.8 m -109.21 -5.18 16.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.028 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . 0.513 ' CD2' ' CB ' ' A' ' 169' ' ' ASP . 3.8 mp -141.99 128.29 19.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.259 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . 0.695 HD22 ' CD2' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -101.88 -94.88 0.29 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.341 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . 0.674 ' N ' HD12 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -51.89 -33.1 35.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.341 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . 0.536 ' OD2' ' CB ' ' A' ' 118' ' ' LEU . 1.4 m-20 -65.59 -45.94 81.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.333 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' VAL . . . . . 0.796 HG23 ' HA ' ' A' ' 156' ' ' ALA . 0.4 OUTLIER -56.16 -57.02 10.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . 0.932 ' CZ ' ' HB2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -64.26 -51.75 62.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 110.977 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 172' ' ' HIS . . . . . 0.47 ' CB ' ' O ' ' A' ' 168' ' ' ARG . 23.7 t-160 -58.53 -25.11 62.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.59 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 173' ' ' THR . . . . . 0.78 ' O ' ' HB3' ' A' ' 176' ' ' ASN . 1.2 m -68.43 -44.68 74.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.423 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 174' ' ' THR . . . . . 0.777 ' HA ' ' OG1' ' A' ' 152' ' ' THR . 0.2 OUTLIER -63.98 -67.7 0.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.448 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 175' ' ' VAL . . . . . 0.981 ' CG2' ' HB ' ' A' ' 21' ' ' VAL . 1.5 t -63.13 7.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . 0.78 ' HB3' ' O ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -73.4 -58.36 3.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . 0.799 ' CE2' ' HB2' ' A' ' 151' ' ' MET . 3.8 m-30 -60.8 -47.29 87.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . 0.572 ' HB ' ' CG2' ' A' ' 17' ' ' THR . 1.9 mt -61.88 -45.69 98.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . 0.538 ' CB ' ' O ' ' A' ' 175' ' ' VAL . 4.6 t30 -56.04 -39.24 71.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 180' ' ' GLN . . . . . 0.483 ' HB3' ' O ' ' A' ' 177' ' ' PHE . 9.7 tp60 -50.48 -100.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 0.0 110.337 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.427 ' N ' ' HG3' ' A' ' 180' ' ' GLN . 5.9 t30 -124.16 -2.9 8.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . 0.535 ' CD2' ' SD ' ' A' ' 148' ' ' MET . 0.2 OUTLIER -95.85 40.96 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.419 1.074 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 183' ' ' PHE . . . . . 0.536 ' CZ ' ' HB ' ' A' ' 16' ' ' ILE . 5.7 t80 -32.75 -35.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.975 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 184' ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' ' 182' ' ' LEU . 24.8 t -178.36 90.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.019 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 185' ' ' TYR . . . . . 0.602 ' CD1' ' OD2' ' A' ' 145' ' ' ASP . 0.4 OUTLIER -48.73 -56.28 9.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 111.019 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 186' ' ' VAL . . . . . 0.472 ' CG2' HG12 ' A' ' 86' ' ' ILE . 46.3 t -49.19 -43.96 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . 0.412 ' O ' HG11 ' A' ' 190' ' ' VAL . 0.0 OUTLIER -53.99 -47.89 70.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 188' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -54.38 -43.08 71.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.16 -50.69 72.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . 0.423 HG11 ' N ' ' A' ' 191' ' ' ARG . 0.4 OUTLIER -54.88 -43.62 68.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 191' ' ' ARG . . . . . 0.423 ' N ' HG11 ' A' ' 190' ' ' VAL . 0.4 OUTLIER -54.86 -47.49 74.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 32.7 m-20 -55.06 -45.7 75.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 193' ' ' GLU . . . . . 0.437 ' O ' ' CB ' ' A' ' 194' ' ' MET . 0.8 OUTLIER -162.87 154.21 17.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 110.303 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 194' ' ' MET . . . . . 0.437 ' CB ' ' O ' ' A' ' 193' ' ' GLU . 0.0 OUTLIER 76.82 144.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 3.7 p30 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.955 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.497 0.189 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 178.33 166.11 0.79 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.8 t -179.33 147.92 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.99 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -171.47 148.59 2.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.337 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.7 p -172.91 145.18 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.152 . . . . 0.0 109.297 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.7 m -112.44 155.44 24.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.021 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -83.11 134.19 35.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 109.308 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -103.06 -169.02 26.06 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.8 p -134.54 120.81 20.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 0.741 . . . . 0.0 110.013 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.481 ' O ' ' CB ' ' A' ' 11' ' ' LEU . . . -60.61 -114.64 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.571 1.17 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.481 ' CB ' ' O ' ' A' ' 10' ' ' GLY . 0.3 OUTLIER 164.27 179.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 0.779 . . . . 0.0 109.323 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -80.37 69.42 3.15 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.545 ' O ' ' CZ ' ' A' ' 183' ' ' PHE . . . -164.96 109.24 0.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 0.751 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.2 30.04 1.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 45.8 p-80 -61.58 -48.81 79.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.643 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.585 HD12 ' CE1' ' A' ' 84' ' ' HIS . 0.8 OUTLIER -52.17 -38.66 25.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.593 ' CG2' ' HB ' ' A' ' 178' ' ' ILE . 6.6 m -55.57 -62.34 1.75 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 110.425 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -46.63 -36.45 6.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.464 ' HG ' ' CE1' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -62.56 -32.98 74.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.636 ' CD2' ' CD2' ' A' ' 90' ' ' LEU . 1.1 tm? -65.3 -41.37 94.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.854 ' HB ' ' CG2' ' A' ' 175' ' ' VAL . 0.4 OUTLIER -59.8 -61.79 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.786 ' CE1' ' HB3' ' A' ' 35' ' ' LEU . 2.0 t80 -66.17 -27.27 67.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.487 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -75.56 -41.87 28.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 1.102 ' CE2' ' HA ' ' A' ' 91' ' ' ALA . 0.2 OUTLIER -55.96 -53.09 61.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 0.761 . . . . 0.0 111.026 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.963 ' HB3' ' HG ' ' A' ' 35' ' ' LEU . 6.5 tp -56.48 -44.18 80.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.605 ' HG3' ' N ' ' A' ' 27' ' ' SER . 0.1 OUTLIER -55.94 -34.78 65.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.605 ' N ' ' HG3' ' A' ' 26' ' ' GLN . 6.1 t -63.28 -74.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 110.008 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.7 t -143.01 47.9 1.51 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.012 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.483 ' HA3' ' HA ' ' A' ' 25' ' ' LEU . . . -87.62 -140.63 6.74 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.517 1.136 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.541 ' HB3' ' CG ' ' A' ' 34' ' ' GLU . 34.8 t -87.07 -93.1 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.455 ' H ' ' HB2' ' A' ' 34' ' ' GLU . 2.9 p -145.25 173.59 11.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.393 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -49.4 -54.61 16.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.49 ' O ' ' CG2' ' A' ' 37' ' ' VAL . 9.9 tt0 -51.11 -29.44 13.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.234 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.626 ' HB3' HD22 ' A' ' 25' ' ' LEU . 3.5 tp10 -67.84 -58.49 4.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.963 ' HG ' ' HB3' ' A' ' 25' ' ' LEU . 7.2 mp -45.17 -35.61 3.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.155 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 1.1 tt0 -66.33 -50.5 63.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.267 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.585 ' CG1' HD21 ' A' ' 167' ' ' LEU . 1.9 t -64.09 -58.92 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.354 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.803 ' HB3' ' CG ' ' A' ' 171' ' ' PHE . 4.7 mt -66.96 -50.53 62.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.265 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.688 ' HA3' ' O ' ' A' ' 35' ' ' LEU . . . -56.43 -54.68 34.29 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.542 1.151 . . . . 0.0 111.042 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.494 ' CB ' ' O ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -84.61 84.96 7.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.772 . . . . 0.0 110.319 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.413 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 0.6 OUTLIER -135.05 131.79 37.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.307 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.444 HD22 ' NH2' ' A' ' 40' ' ' ARG . 3.0 mm? -102.09 106.25 46.87 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 41' ' ' GLU . 18.1 Cg_endo -75.04 56.29 4.23 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.504 1.791 . . . . 0.0 110.944 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.7 t -41.12 -59.52 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.355 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 74.21 137.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 110.286 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.475 ' O ' ' C ' ' A' ' 47' ' ' TYR . . . -164.11 42.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.475 ' C ' ' O ' ' A' ' 46' ' ' ALA . 11.2 t80 -31.04 146.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 111.036 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.416 ' CB ' ' O ' ' A' ' 47' ' ' TYR . 0.1 OUTLIER 167.74 -75.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 107.965 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 39.81 -155.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.265 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 61.5 152.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.467 ' O ' ' C ' ' A' ' 52' ' ' LEU . 5.6 p-10 177.87 89.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.467 ' C ' ' O ' ' A' ' 51' ' ' ASP . 6.7 tp -34.77 143.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.59 149.06 44.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -136.77 166.23 24.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.04 143.86 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.272 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 pp -155.83 88.07 1.1 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -171.08 177.57 3.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.33 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.1 t -86.59 161.25 18.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.395 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -164.32 172.64 13.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -148.77 179.32 25.69 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.5 1.125 . . . . 0.0 110.97 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -130.14 175.88 8.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 0.77 . . . . 0.0 109.971 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -120.34 -82.72 0.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -169.54 -176.81 2.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 109.331 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.49 166.42 29.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.003 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -153.06 157.69 40.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 65' ' ' ARG . 0.4 OUTLIER -37.67 155.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.003 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.448 ' CD2' ' N ' ' A' ' 68' ' ' ASN . 12.6 p90 -103.88 -49.07 3.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.095 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.448 ' N ' ' CD2' ' A' ' 67' ' ' PHE . 1.0 OUTLIER 164.96 -176.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -121.72 -97.36 0.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.269 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 158.81 161.83 11.42 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.441 1.088 . . . . 0.0 110.982 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.0 mmt85 -127.34 -175.44 3.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 0.745 . . . . 0.0 110.272 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.428 ' HA ' ' NE2' ' A' ' 162' ' ' HIS . 14.1 tt -141.58 165.9 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.246 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.65 98.08 4.22 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.145 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.5 ' O ' ' CB ' ' A' ' 75' ' ' ASP . 18.2 Cg_endo -75.01 -162.4 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.554 1.818 . . . . 0.0 111.003 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 74' ' ' PRO . 10.8 t70 82.3 145.89 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.9 m -152.24 -173.36 4.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.991 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -164.44 -164.34 0.83 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.7 m -155.74 175.86 13.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.009 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -156.17 -166.66 2.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 110.235 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' ' 81' ' ' GLU . 7.1 mp0 -126.65 133.98 50.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.506 ' CB ' ' O ' ' A' ' 80' ' ' GLU . 0.7 OUTLIER 160.01 179.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 110.292 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.439 ' O ' ' HB3' ' A' ' 85' ' ' ASN . 50.5 mm -101.76 -101.93 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.454 ' O ' ' CG1' ' A' ' 86' ' ' ILE . 7.0 mm -61.36 -42.71 94.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.585 ' CE1' HD12 ' A' ' 16' ' ' ILE . 92.4 m-70 -62.86 -38.22 89.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.627 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.439 ' HB3' ' O ' ' A' ' 82' ' ' ILE . 7.0 t30 -56.9 -52.48 64.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.454 ' CG1' ' O ' ' A' ' 83' ' ' ILE . 4.3 pt -61.37 -30.39 47.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.633 ' O ' ' HB2' ' A' ' 90' ' ' LEU . . . -55.45 -51.36 67.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.583 ' O ' ' CB ' ' A' ' 27' ' ' SER . 12.2 mtt180 -64.7 -44.88 88.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.499 ' O ' ' HB ' ' A' ' 93' ' ' ILE . 5.5 t60 -54.31 -22.15 11.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.613 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.636 ' CD2' ' CD2' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -55.88 -66.09 0.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 1.102 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . . . -52.66 -55.29 23.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.97 -28.78 7.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.294 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.534 ' O ' ' N ' ' A' ' 97' ' ' MET . 0.1 OUTLIER -72.48 -32.25 41.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.514 ' HA2' ' CE ' ' A' ' 153' ' ' MET . . . -59.54 -51.73 57.32 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.498 1.124 . . . . 0.0 110.967 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -64.8 -51.84 60.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 0.753 . . . . 0.0 109.357 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' A' ' 99' ' ' HIS . 1.6 tp10 -61.45 -38.87 88.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.54 ' SD ' ' CD1' ' A' ' 150' ' ' ILE . 4.6 mmt -51.27 -50.54 59.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -41.31 -26.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.332 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.47 ' N ' ' C ' ' A' ' 97' ' ' MET . 3.6 t60 -57.37 -47.77 80.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.615 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.466 ' N ' ' O ' ' A' ' 97' ' ' MET . 0.7 OUTLIER -143.01 84.26 1.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.701 ' CG2' ' O ' ' A' ' 101' ' ' ILE . 0.1 OUTLIER -140.47 92.64 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.902 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 0.0 OUTLIER 151.97 52.15 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.316 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.902 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.2 Cg_endo -75.01 12.99 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.0 111.011 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.71 ' O ' ' CB ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER 160.13 5.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.404 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.71 ' CB ' ' O ' ' A' ' 104' ' ' THR . 4.6 tt 106.99 33.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.763 ' HB ' ' HD2' ' A' ' 103' ' ' PRO . 1.8 t -63.48 -81.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.577 ' N ' ' CG1' ' A' ' 106' ' ' VAL . 0.0 OUTLIER -51.98 -32.22 32.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.321 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.429 ' CB ' ' HG ' ' A' ' 105' ' ' LEU . 2.9 mm-40 -63.11 -33.61 75.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.318 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 1.072 HD11 ' C ' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -62.61 -59.89 4.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.358 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 1.214 ' O ' ' CD2' ' A' ' 113' ' ' PHE . . . -46.01 -58.05 3.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.552 ' CB ' HD13 ' A' ' 154' ' ' LEU . . . -60.4 -17.32 43.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.787 ' NE2' HD11 ' A' ' 109' ' ' LEU . 0.3 OUTLIER -64.57 -44.12 91.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 1.214 ' CD2' ' O ' ' A' ' 110' ' ' ALA . 3.1 p90 -63.38 -40.27 96.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 111.049 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.857 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 1.8 ttt -61.44 59.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.625 ' N ' ' O ' ' A' ' 113' ' ' PHE . 30.8 p-10 -146.51 149.34 33.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.442 ' HA3' ' NZ ' ' A' ' 123' ' ' LYS . . . 159.87 -146.78 13.23 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.47 1.107 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 118' ' ' LEU . 32.6 t -107.48 -18.08 13.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 110.004 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.468 ' CB ' ' HE2' ' A' ' 123' ' ' LYS . 0.1 OUTLIER -40.12 -80.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.726 ' C ' ' H ' ' A' ' 121' ' ' GLU . 0.3 OUTLIER -145.91 -169.92 3.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.953 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.611 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 1.6 mt-10 -61.43 27.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.726 ' H ' ' C ' ' A' ' 119' ' ' SER . 1.3 mt-10 95.65 84.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.239 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.5 ' CB ' ' CD2' ' A' ' 166' ' ' LEU . 2.4 m-20 -164.74 43.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.468 ' HE2' ' CB ' ' A' ' 118' ' ' LEU . 0.1 OUTLIER -63.56 -167.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.806 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 35.8 mtm180 -109.57 -96.27 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -47.73 -19.88 0.24 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.629 ' HB3' ' CD1' ' A' ' 113' ' ' PHE . 0.1 OUTLIER -42.11 -47.41 4.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 108.286 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.806 ' HG ' ' O ' ' A' ' 124' ' ' ARG . 0.0 OUTLIER -54.16 -69.78 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -50.14 -29.58 9.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -59.61 -29.12 67.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.791 ' HB3' ' CD2' ' A' ' 113' ' ' PHE . . . -72.41 -47.51 48.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.705 ' HA ' ' HE2' ' A' ' 177' ' ' PHE . 0.1 OUTLIER -40.07 -48.83 2.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.787 ' O ' ' HB ' ' A' ' 136' ' ' THR . 0.9 OUTLIER -64.62 -52.79 55.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.523 ' CB ' HD12 ' A' ' 109' ' ' LEU . 13.1 mm-40 -53.77 -66.79 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.887 ' HA ' HD22 ' A' ' 109' ' ' LEU . 0.2 OUTLIER -53.12 -38.17 29.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . 0.687 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 0.2 OUTLIER -80.12 13.67 2.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' THR . . . . . 0.787 ' HB ' ' O ' ' A' ' 132' ' ' ASP . 0.6 OUTLIER -128.93 -14.0 4.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.42 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.649 ' C ' ' HD3' ' A' ' 139' ' ' PRO . . . -102.38 -56.91 2.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 0.888 ' CZ ' HD22 ' A' ' 109' ' ' LEU . 0.1 OUTLIER -124.43 47.8 2.12 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 111.0 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.698 ' HD3' ' N ' ' A' ' 138' ' ' PHE . 18.3 Cg_endo -74.95 157.54 42.91 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.464 1.771 . . . . 0.0 111.018 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . 0.792 ' CB ' ' HB2' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 169.61 -144.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . 0.529 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 1.5 m-20 -87.12 -146.83 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' MET . . . . . 0.573 ' O ' ' OH ' ' A' ' 185' ' ' TYR . 13.1 ttp -54.79 -31.46 58.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 111.001 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.89 -62.23 1.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.285 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . 0.792 ' HB2' ' CB ' ' A' ' 140' ' ' ARG . 1.0 OUTLIER -74.36 -53.72 9.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.557 ' O ' ' HG2' ' A' ' 148' ' ' MET . 29.0 t0 -38.98 -57.04 1.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.581 ' N ' ' OH ' ' A' ' 185' ' ' TYR . 10.7 ttmt -46.72 -30.83 2.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.627 ' CB ' ' O ' ' A' ' 144' ' ' ASN . . . -56.81 -55.03 39.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' MET . . . . . 0.611 ' HA ' HG12 ' A' ' 134' ' ' VAL . 7.3 ptp -53.46 -41.14 65.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.965 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.502 ' N ' ' CG ' ' A' ' 148' ' ' MET . 0.1 OUTLIER -61.33 -41.93 97.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . 0.588 ' O ' ' HG3' ' A' ' 153' ' ' MET . 17.4 mt -54.49 -27.42 17.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.168 . . . . 0.0 109.343 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' MET . . . . . 1.016 ' HB2' ' CZ ' ' A' ' 177' ' ' PHE . 0.5 OUTLIER -62.88 -48.44 79.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' THR . . . . . 0.91 ' OG1' ' O ' ' A' ' 173' ' ' THR . 0.8 OUTLIER -54.15 -55.52 27.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.126 . . . . 0.0 110.388 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' MET . . . . . 0.588 ' HG3' ' O ' ' A' ' 150' ' ' ILE . 0.0 OUTLIER -65.79 -25.15 67.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 111.029 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.641 ' HB3' ' O ' ' A' ' 151' ' ' MET . 0.0 OUTLIER -53.71 -60.06 3.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.642 ' CD1' ' O ' ' A' ' 151' ' ' MET . 3.6 mp -50.71 -45.96 58.69 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . 1.138 ' O ' ' N ' ' A' ' 160' ' ' ALA . . . -60.55 -64.59 0.9 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.608 ' O ' ' HB2' ' A' ' 162' ' ' HIS . 0.0 OUTLIER -44.67 -36.85 3.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.256 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . 0.826 ' O ' ' N ' ' A' ' 163' ' ' ALA . 4.5 mmtt -81.05 -38.68 27.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . 0.639 ' N ' ' O ' ' A' ' 155' ' ' LEU . 6.8 t -100.01 -47.73 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . 1.138 ' N ' ' O ' ' A' ' 156' ' ' ALA . . . -24.08 -69.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.92 -6.55 5.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 0.0 109.975 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . 0.656 ' CB ' ' O ' ' A' ' 158' ' ' LYS . 1.8 m-70 -87.17 -41.99 13.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 109.589 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 0.826 ' N ' ' O ' ' A' ' 158' ' ' LYS . . . -132.23 89.61 36.85 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 49.26 2.21 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.462 1.769 . . . . 0.0 111.033 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.71 -24.34 17.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.986 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . 0.537 ' CD1' ' HB2' ' A' ' 169' ' ' ASP . 0.3 OUTLIER -142.85 118.1 10.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . 0.764 ' CD2' HD22 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -85.93 -77.04 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . 0.501 ' HG3' ' N ' ' A' ' 169' ' ' ASP . 0.4 OUTLIER -51.11 -39.96 57.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.289 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . 0.537 ' HB2' ' CD1' ' A' ' 166' ' ' LEU . 0.1 OUTLIER -59.96 -39.9 87.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 170' ' ' VAL . . . . . 0.581 ' CG1' ' N ' ' A' ' 171' ' ' PHE . 0.4 OUTLIER -52.21 -56.64 5.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . 0.931 ' CE1' HD23 ' A' ' 25' ' ' LEU . 1.1 m-30 -61.77 -52.15 65.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 172' ' ' HIS . . . . . 0.575 ' O ' ' CB ' ' A' ' 176' ' ' ASN . 4.7 t60 -52.22 -35.84 50.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.565 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 173' ' ' THR . . . . . 0.91 ' O ' ' OG1' ' A' ' 152' ' ' THR . 26.5 m -61.05 -52.29 65.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 110.38 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 174' ' ' THR . . . . . 0.712 ' HA ' ' CG2' ' A' ' 152' ' ' THR . 40.2 p -59.46 -64.1 1.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.387 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 175' ' ' VAL . . . . . 0.854 ' CG2' ' HB ' ' A' ' 21' ' ' VAL . 2.1 t -66.24 -0.14 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . 0.847 ' HB3' ' O ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -72.18 -59.35 2.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . 1.016 ' CZ ' ' HB2' ' A' ' 151' ' ' MET . 5.8 m-85 -52.04 -44.31 64.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . 0.656 HD13 ' O ' ' A' ' 174' ' ' THR . 2.3 mt -63.24 -54.81 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . 0.549 ' C ' ' ND2' ' A' ' 179' ' ' ASN . 0.1 OUTLIER -53.88 -35.38 61.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 180' ' ' GLN . . . . . 0.597 ' HB2' ' O ' ' A' ' 177' ' ' PHE . 26.2 mm-40 -51.26 -101.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.583 1.177 . . . . 0.0 110.29 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -119.19 -5.33 10.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.346 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . 0.699 ' CD1' ' N ' ' A' ' 182' ' ' LEU . 0.0 OUTLIER -93.67 22.75 5.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 183' ' ' PHE . . . . . 0.586 ' N ' ' O ' ' A' ' 178' ' ' ILE . 1.3 t80 -35.28 -31.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 184' ' ' SER . . . . . 0.511 ' N ' ' O ' ' A' ' 182' ' ' LEU . 0.0 OUTLIER -154.55 119.32 4.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.051 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 185' ' ' TYR . . . . . 0.581 ' OH ' ' N ' ' A' ' 146' ' ' LYS . 0.8 OUTLIER -82.39 172.88 12.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 186' ' ' VAL . . . . . . . . . . . . . 9.5 p -40.64 -35.62 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 109.339 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.88 -50.12 67.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.335 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 188' ' ' ASN . . . . . 0.426 ' O ' ' OD1' ' A' ' 192' ' ' ASN . 7.9 m-80 -61.56 -45.19 95.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . 0.497 ' O ' ' ND2' ' A' ' 192' ' ' ASN . 5.6 mt -53.58 -44.43 69.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 69.8 t -62.53 -39.59 85.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.339 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -50.9 -57.65 7.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.269 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 192' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 189' ' ' LEU . 1.3 p-10 -65.55 -51.61 58.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 193' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 192' ' ' ASN . 1.0 OUTLIER 37.19 79.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.327 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 194' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -155.46 165.7 35.78 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 0.0 110.959 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.496 0.188 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 73.39 165.25 0.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.248 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -131.76 -173.31 3.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.001 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.478 ' O ' ' CG2' ' A' ' 5' ' ' VAL . 0.4 OUTLIER -148.39 -68.28 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.478 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 16.1 m 47.74 -170.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.316 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.519 ' HB2' ' CG ' ' A' ' 47' ' ' TYR . 2.0 m 171.56 -173.93 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.147 . . . . 0.0 110.008 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -154.05 143.29 21.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -137.09 -171.76 12.3 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.533 1.146 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 86.6 p -149.79 -176.35 5.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 109.997 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -95.92 -160.77 32.95 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.488 1.118 . . . . 0.0 110.967 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 22.6 tp -114.88 -88.23 0.57 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 0.79 . . . . 0.0 109.275 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 152.5 175.25 23.86 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.553 1.158 . . . . 0.0 111.003 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.91 -176.93 0.88 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.768 . . . . 0.0 109.352 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.523 ' HG2' ' CD1' ' A' ' 183' ' ' PHE . 0.5 OUTLIER -53.1 125.71 18.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -57.01 -46.7 82.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.592 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.52 ' CD1' ' CG2' ' A' ' 83' ' ' ILE . 0.6 OUTLIER -58.83 -55.06 25.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.584 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 5.3 m -49.6 -43.34 46.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.394 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.97 -39.31 59.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.559 ' O ' ' N ' ' A' ' 23' ' ' GLY . 1.2 mm? -64.23 -29.84 70.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.724 ' C ' ' CD1' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -63.1 -49.4 74.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.755 ' N ' ' CG2' ' A' ' 175' ' ' VAL . 0.5 OUTLIER -58.29 -62.46 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.746 ' HA ' ' CE2' ' A' ' 171' ' ' PHE . 0.9 OUTLIER -62.18 -32.8 73.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -75.64 -34.73 48.49 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.12 . . . . 0.0 111.041 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 1.03 ' CE2' ' HA ' ' A' ' 91' ' ' ALA . 5.6 t80 -52.86 -58.73 5.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.788 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.876 ' HB2' ' CZ ' ' A' ' 171' ' ' PHE . 0.5 OUTLIER -57.05 -43.16 81.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -54.05 -33.73 58.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.286 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.536 ' CB ' ' O ' ' A' ' 88' ' ' ARG . 0.6 OUTLIER -68.03 -93.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.972 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.8 41.67 1.31 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.023 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.477 ' HA3' HD11 ' A' ' 25' ' ' LEU . . . -78.78 -119.2 0.25 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.446 ' HB3' ' HG2' ' A' ' 34' ' ' GLU . 49.7 t -77.68 -93.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 34' ' ' GLU . 0.6 OUTLIER -141.62 150.73 42.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 110.405 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.524 ' HA ' HD21 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -42.71 -55.17 3.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 110.327 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -55.0 -26.14 34.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.704 ' C ' HD22 ' A' ' 25' ' ' LEU . 6.6 tp10 -68.45 -55.78 10.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.707 ' CD1' ' CE1' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -44.53 -36.51 3.01 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.485 ' N ' ' HG ' ' A' ' 35' ' ' LEU . 14.5 tm-20 -71.25 -46.28 61.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.65 ' CG1' HD22 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -61.0 -57.68 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 1.031 ' HB2' ' CD2' ' A' ' 171' ' ' PHE . 11.4 mt -69.22 -42.01 76.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.575 ' HA3' ' CD1' ' A' ' 22' ' ' PHE . . . -46.76 -41.81 13.85 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 177.08 98.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.566 0.803 . . . . 0.0 110.279 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.425 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 8.1 tm-20 -143.24 137.33 28.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -102.3 105.49 43.42 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.425 ' HD3' ' O ' ' A' ' 41' ' ' GLU . 18.3 Cg_endo -75.0 151.66 39.81 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.481 1.78 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.443 ' O ' ' C ' ' A' ' 45' ' ' GLN . 55.0 t -39.91 112.74 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.15 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 44' ' ' VAL . 3.0 tp60 -34.51 141.96 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 47' ' ' TYR . . . -158.2 47.0 0.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.113 . . . . 0.0 109.253 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.576 ' O ' ' CG ' ' A' ' 48' ' ' TRP . 51.3 t80 -33.89 151.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.576 ' CG ' ' O ' ' A' ' 47' ' ' TYR . 0.7 OUTLIER 156.76 139.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.164 . . . . 0.0 107.991 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 50' ' ' ALA . 1.8 pp20? 173.65 -36.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.274 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 49' ' ' GLU . . . 162.66 151.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.42 ' O ' ' O ' ' A' ' 52' ' ' LEU . 10.7 t0 -161.14 115.91 2.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.42 ' O ' ' O ' ' A' ' 51' ' ' ASP . 11.2 tp 61.21 142.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -123.28 172.62 8.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -130.78 174.79 9.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.245 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -145.21 172.16 13.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -174.99 177.74 1.91 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.343 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -128.31 150.93 49.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 110.318 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.5 t -153.56 169.3 23.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.423 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -150.76 149.74 30.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.155 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 155.34 178.02 29.18 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.462 1.102 . . . . 0.0 110.969 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -106.88 172.16 6.97 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.48 0.753 . . . . 0.0 110.001 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.8 177.14 11.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.304 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -149.22 -176.28 5.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.346 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 29.2 m 67.48 139.56 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.011 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -111.29 -69.86 0.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.264 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.5 m 74.25 171.09 0.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.01 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -151.08 179.4 8.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.954 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -166.76 109.14 0.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -82.05 -174.17 4.92 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -166.65 164.76 37.96 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.554 1.158 . . . . 0.0 110.961 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.6 mtt-85 -147.57 159.77 43.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 0.776 . . . . 0.0 110.318 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 70.6 mt -136.87 138.54 45.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.498 ' OE2' ' CD1' ' A' ' 182' ' ' LEU . 0.0 OUTLIER -87.55 149.27 46.11 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.494 ' O ' ' CB ' ' A' ' 75' ' ' ASP . 18.2 Cg_endo -75.07 -58.84 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.487 1.783 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 74' ' ' PRO . 1.0 OUTLIER 81.56 170.83 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.49 -167.79 1.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.959 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -45.58 169.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 36.2 p -156.61 113.71 3.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.033 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.461 ' O ' ' CB ' ' A' ' 80' ' ' GLU . 35.9 mt-30 -126.26 -103.82 0.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.461 ' CB ' ' O ' ' A' ' 79' ' ' GLN . 0.0 OUTLIER 163.88 165.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.278 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.406 ' CB ' ' O ' ' A' ' 80' ' ' GLU . 2.5 mt-10 167.17 -83.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.322 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 27.2 mm -101.75 -15.84 7.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 109.295 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.52 ' CG2' ' CD1' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -52.33 -32.36 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.413 ' CE1' ' CD1' ' A' ' 16' ' ' ILE . 56.7 m80 -63.64 -60.18 3.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.565 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.428 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 15.8 t-20 -53.76 -47.14 70.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.443 ' CG2' HD12 ' A' ' 83' ' ' ILE . 0.1 OUTLIER -62.46 -30.27 48.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.329 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.722 ' O ' ' HB2' ' A' ' 90' ' ' LEU . . . -56.43 -60.75 3.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.536 ' O ' ' CB ' ' A' ' 27' ' ' SER . 4.5 ptt85 -64.71 -37.68 88.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.498 ' CE1' HD13 ' A' ' 93' ' ' ILE . 19.2 t-160 -53.97 -24.19 15.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.602 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.722 ' HB2' ' O ' ' A' ' 87' ' ' ALA . 0.4 OUTLIER -54.66 -60.83 2.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 1.03 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . . . -53.14 -56.27 17.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -49.95 -28.87 7.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.113 . . . . 0.0 110.29 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.557 ' O ' ' SD ' ' A' ' 97' ' ' MET . 0.1 OUTLIER -70.8 -36.02 62.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.08 . . . . 0.0 109.286 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.452 ' N ' HG21 ' A' ' 93' ' ' ILE . . . -58.56 -53.28 47.3 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.413 ' O ' ' OD1' ' A' ' 98' ' ' ASP . 22.3 t70 -61.29 -52.66 63.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 0.745 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -37.69 79.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.557 ' SD ' ' O ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -51.12 -49.36 60.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 111.017 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 99' ' ' HIS . 1.3 p-10 -38.55 -30.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.464 ' N ' ' O ' ' A' ' 97' ' ' MET . 25.6 t60 -54.66 -49.38 70.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.142 . . . . 0.0 109.615 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.494 ' N ' ' O ' ' A' ' 97' ' ' MET . 39.5 t-20 -146.49 87.62 1.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.356 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.531 ' CG2' ' O ' ' A' ' 101' ' ' ILE . 0.3 OUTLIER -145.36 101.07 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.907 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 0.0 OUTLIER 163.11 48.86 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 110.321 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.907 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.1 Cg_endo -75.04 7.13 3.01 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.544 1.813 . . . . 0.0 110.963 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.769 ' O ' ' HB3' ' A' ' 105' ' ' LEU . 0.8 OUTLIER 168.43 -3.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.421 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.769 ' HB3' ' O ' ' A' ' 104' ' ' THR . 0.2 OUTLIER 111.83 39.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.79 ' HA ' ' CZ ' ' A' ' 138' ' ' PHE . 1.8 m -50.25 -70.56 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.337 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.691 ' O ' ' CB ' ' A' ' 111' ' ' ALA . 7.9 ttt-85 -48.39 -43.26 33.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.261 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.411 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 38.9 mt-30 -70.28 -21.92 62.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 1.358 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 0.3 OUTLIER -69.07 -64.73 0.81 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 1.193 ' O ' ' CD2' ' A' ' 113' ' ' PHE . . . -68.08 -36.05 79.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.691 ' CB ' ' O ' ' A' ' 107' ' ' ARG . . . -63.21 -36.88 85.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 1.358 ' HG3' ' O ' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -51.68 -58.33 6.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.309 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 1.193 ' CD2' ' O ' ' A' ' 110' ' ' ALA . 1.0 OUTLIER -52.62 -43.43 65.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.825 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 9.3 tpt -53.36 131.87 38.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.972 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 42.7 m-20 -110.08 -77.81 0.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 159.21 -31.26 0.44 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.461 1.101 . . . . 0.0 110.992 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.414 ' HA ' ' NZ ' ' A' ' 123' ' ' LYS . 1.4 t -156.58 67.48 0.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 0.783 . . . . 0.0 110.042 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.425 ' CD2' ' SG ' ' A' ' 126' ' ' CYS . 1.2 mp -38.74 -71.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.56 ' C ' ' N ' ' A' ' 121' ' ' GLU . 0.3 OUTLIER -144.94 69.03 1.24 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.982 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.585 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 8.4 pt-20 45.78 12.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.266 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.585 ' CB ' ' O ' ' A' ' 120' ' ' GLU . 1.9 mt-10 154.35 84.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.418 ' CB ' ' HB2' ' A' ' 118' ' ' LEU . 0.2 OUTLIER -157.33 25.89 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.414 ' NZ ' ' HA ' ' A' ' 117' ' ' SER . 0.0 OUTLIER -77.3 93.75 4.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.318 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.573 ' HA ' ' CD1' ' A' ' 127' ' ' LEU . 2.0 ttm180 178.86 -50.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.263 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.454 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 2.4 m-20 -67.62 -43.31 80.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.475 ' HB3' ' CD1' ' A' ' 113' ' ' PHE . 0.1 OUTLIER -52.88 -57.55 9.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 108.288 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.917 ' HA ' ' CZ ' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -53.43 -63.12 1.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 0.0 109.327 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.524 ' O ' ' CD2' ' A' ' 131' ' ' LEU . . . -44.87 -44.06 9.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' A' ' 125' ' ' ASN . 0.0 OUTLIER -62.28 -17.12 57.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.858 ' HB1' ' CE2' ' A' ' 113' ' ' PHE . . . -74.25 -49.45 23.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.767 ' N ' ' CZ ' ' A' ' 177' ' ' PHE . 0.0 OUTLIER -46.9 -40.78 14.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.432 ' N ' ' HG ' ' A' ' 131' ' ' LEU . 4.2 m-20 -65.61 -48.68 71.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.342 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.778 ' O ' ' OG1' ' A' ' 136' ' ' THR . 1.9 mm-40 -57.76 -58.78 6.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.811 ' CG2' ' CE2' ' A' ' 138' ' ' PHE . 0.2 OUTLIER -54.58 -39.36 45.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . 0.528 ' NZ ' ' CD1' ' A' ' 131' ' ' LEU . 18.9 mtmt -74.71 -0.29 17.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' THR . . . . . 0.778 ' OG1' ' O ' ' A' ' 133' ' ' GLU . 2.4 p -116.78 -15.59 10.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.145 . . . . 0.0 110.387 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.575 ' HB1' ' CE1' ' A' ' 138' ' ' PHE . . . -101.52 -54.95 2.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 0.811 ' CE2' ' CG2' ' A' ' 134' ' ' VAL . 0.1 OUTLIER -125.8 64.77 51.82 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 111.015 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.62 ' C ' ' HB2' ' A' ' 144' ' ' ASN . 18.2 Cg_endo -75.0 157.15 42.93 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.499 1.789 . . . . 0.0 110.956 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . 0.809 ' N ' ' CB ' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 169.66 -167.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.294 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . 0.615 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 10.7 m-20 -86.46 -106.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 3.7 ptt? -69.21 -31.67 70.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . 0.414 ' O ' ' HB1' ' A' ' 147' ' ' ALA . 2.1 mt-10 -65.72 -60.25 3.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.331 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . 0.809 ' CB ' ' N ' ' A' ' 140' ' ' ARG . 1.3 t30 -67.33 -56.26 10.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.615 ' CB ' ' O ' ' A' ' 141' ' ' ASP . 55.4 t0 -39.08 -56.41 1.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.589 ' HB2' ' CZ ' ' A' ' 185' ' ' TYR . 4.2 ttmt -64.82 -28.39 69.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.605 ' N ' ' O ' ' A' ' 144' ' ' ASN . . . -62.05 -57.19 12.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' MET . . . . . 0.794 ' O ' ' HB2' ' A' ' 151' ' ' MET . 0.0 OUTLIER -50.54 -47.49 57.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 111.037 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.78 ' N ' ' HG3' ' A' ' 148' ' ' MET . 0.9 OUTLIER -52.7 -40.2 62.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . 0.507 ' CG1' ' HG2' ' A' ' 97' ' ' MET . 1.3 mp -62.0 -25.13 36.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' MET . . . . . 0.887 ' HB2' ' CE2' ' A' ' 177' ' ' PHE . 0.0 OUTLIER -57.62 -57.79 11.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.969 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' THR . . . . . 1.161 ' OG1' ' O ' ' A' ' 173' ' ' THR . 4.8 t -57.14 -48.42 78.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.422 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' MET . . . . . 0.535 ' N ' HG21 ' A' ' 152' ' ' THR . 49.1 mtm -64.45 -28.01 69.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.972 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.781 ' C ' ' CD2' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -55.67 -53.92 50.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.745 ' O ' ' CG2' ' A' ' 159' ' ' VAL . 4.8 mp -47.44 -58.72 3.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . 0.63 ' O ' ' HB2' ' A' ' 161' ' ' SER . . . -54.89 -52.12 63.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.743 ' HA ' ' CB ' ' A' ' 161' ' ' SER . 0.4 OUTLIER -46.03 -49.56 16.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.263 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . 0.579 ' O ' ' CB ' ' A' ' 162' ' ' HIS . 0.1 OUTLIER -75.79 -43.47 46.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.309 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . 1.079 ' O ' ' N ' ' A' ' 163' ' ' ALA . 7.2 t -71.86 -129.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . 0.606 ' H ' HG13 ' A' ' 159' ' ' VAL . . . -25.65 -62.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' SER . . . . . 0.743 ' CB ' ' HA ' ' A' ' 157' ' ' LYS . 0.5 OUTLIER -49.74 -12.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.003 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . 0.977 ' N ' ' O ' ' A' ' 159' ' ' VAL . 0.3 OUTLIER -151.53 -49.64 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.604 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 1.079 ' N ' ' O ' ' A' ' 159' ' ' VAL . . . -110.34 93.92 17.24 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' PRO . . . . . 0.463 ' HD3' ' O ' ' A' ' 162' ' ' HIS . 18.2 Cg_endo -74.97 61.53 5.66 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.545 1.813 . . . . 0.0 110.967 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.88 -47.23 3.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.983 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . 0.621 ' O ' ' N ' ' A' ' 170' ' ' VAL . 0.0 OUTLIER -117.61 66.42 0.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.262 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . 0.975 ' C ' HD23 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -53.56 -70.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . 0.836 ' H ' ' CD1' ' A' ' 167' ' ' LEU . 4.8 ptt85 -46.55 -46.67 19.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.333 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . 0.589 ' N ' ' HG3' ' A' ' 168' ' ' ARG . 29.2 m-20 -65.07 -37.06 86.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.102 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 170' ' ' VAL . . . . . 0.705 ' CG2' ' HB ' ' A' ' 159' ' ' VAL . 1.2 t -51.77 -60.45 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . 1.031 ' CD2' ' HB2' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -53.2 -53.01 56.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 172' ' ' HIS . . . . . 0.499 ' O ' ' HB3' ' A' ' 176' ' ' ASN . 20.8 t-160 -52.16 -33.58 41.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.591 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 173' ' ' THR . . . . . 1.161 ' O ' ' OG1' ' A' ' 152' ' ' THR . 48.9 m -60.05 -55.96 27.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.58 1.175 . . . . 0.0 110.42 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 174' ' ' THR . . . . . 0.652 ' O ' HD13 ' A' ' 178' ' ' ILE . 17.4 p -53.35 -64.8 0.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.412 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 175' ' ' VAL . . . . . 0.755 ' CG2' ' N ' ' A' ' 21' ' ' VAL . 11.7 t -69.82 8.43 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . 0.826 ' HB3' ' O ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -78.88 -54.9 5.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . 0.887 ' CE2' ' HB2' ' A' ' 151' ' ' MET . 0.8 OUTLIER -59.32 -52.78 64.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . 0.652 HD13 ' O ' ' A' ' 174' ' ' THR . 1.8 mt -51.66 -51.51 26.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -56.96 -39.93 75.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -92.87 2.93 56.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.698 ' N ' ' O ' ' A' ' 177' ' ' PHE . 6.7 t-20 -100.4 -147.43 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . 0.571 ' CD1' ' N ' ' A' ' 182' ' ' LEU . 0.0 OUTLIER -96.67 42.36 1.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 183' ' ' PHE . . . . . 0.843 ' O ' ' CG ' ' A' ' 183' ' ' PHE . 1.7 t80 25.64 46.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 111.004 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 184' ' ' SER . . . . . 0.582 ' CB ' ' O ' ' A' ' 183' ' ' PHE . 1.7 m 153.34 132.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.103 . . . . 0.0 110.004 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 185' ' ' TYR . . . . . 0.596 ' CZ ' HG11 ' A' ' 186' ' ' VAL . 25.1 t80 -75.79 160.26 30.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 111.025 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 186' ' ' VAL . . . . . 0.596 HG11 ' CZ ' ' A' ' 185' ' ' TYR . 2.1 p -46.59 -41.82 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . 0.564 ' HB2' ' CD2' ' A' ' 185' ' ' TYR . 7.0 ttt180 -54.59 -51.82 64.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 188' ' ' ASN . . . . . 0.425 ' ND2' HG12 ' A' ' 83' ' ' ILE . 0.8 OUTLIER -53.15 -44.11 67.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 24.4 tp -56.36 -51.21 69.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.333 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . 0.418 HG11 ' O ' ' A' ' 187' ' ' ARG . 0.4 OUTLIER -59.66 -45.51 94.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 191' ' ' ARG . . . . . 0.41 ' N ' HG11 ' A' ' 190' ' ' VAL . 10.2 mmt180 -54.4 -50.17 68.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.233 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -54.34 -46.45 72.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 193' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 194' ' ' MET . 1.0 OUTLIER 46.9 55.89 7.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.266 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 194' ' ' MET . . . . . 0.407 ' C ' ' O ' ' A' ' 193' ' ' GLU . 3.1 ptt? 36.67 38.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.507 0.194 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -86.34 146.98 26.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.2 p -157.07 -152.85 0.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.985 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -121.26 -40.12 2.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.414 HG13 ' N ' ' A' ' 6' ' ' SER . 78.3 t 64.38 -89.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.414 ' N ' HG13 ' A' ' 5' ' ' VAL . 0.5 OUTLIER 52.94 76.34 0.2 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.011 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -176.58 173.3 2.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 137.6 160.81 8.68 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.56 -75.28 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 0.769 . . . . 0.0 110.019 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.74 162.13 10.88 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.465 1.103 . . . . 0.0 111.01 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 63.11 147.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 139.47 -28.47 2.56 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.488 1.118 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 68.48 147.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 0.789 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.53 ' HD3' ' CD1' ' A' ' 183' ' ' PHE . 2.6 ttpp -143.12 115.63 8.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.09 -40.77 98.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.642 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.558 HD13 ' CE1' ' A' ' 84' ' ' HIS . 0.4 OUTLIER -53.26 -42.84 48.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.696 HG23 HG11 ' A' ' 175' ' ' VAL . 87.8 m -53.51 -45.99 69.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.368 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -50.84 -41.02 57.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 23' ' ' GLY . 3.9 mm? -65.12 -27.3 68.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.653 ' HB3' ' O ' ' A' ' 17' ' ' THR . 2.0 tm? -63.13 -42.75 99.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.892 ' HB ' ' CG2' ' A' ' 175' ' ' VAL . 0.4 OUTLIER -61.27 -61.68 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.843 ' CD1' ' HG ' ' A' ' 35' ' ' LEU . 3.7 t80 -61.36 -32.98 72.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -76.11 -36.14 41.54 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.452 1.095 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 1.026 ' CE2' ' HA ' ' A' ' 91' ' ' ALA . 1.9 t80 -51.85 -56.2 15.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 0.75 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.811 ' HB2' ' CZ ' ' A' ' 171' ' ' PHE . 0.3 OUTLIER -58.97 -43.8 91.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.526 ' CG ' ' CD1' ' A' ' 35' ' ' LEU . 3.3 tt0 -54.06 -31.68 52.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.568 1.167 . . . . 0.0 110.278 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.568 ' CB ' ' O ' ' A' ' 88' ' ' ARG . 34.1 t -67.04 -96.59 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.009 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.43 33.65 1.31 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.008 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -77.42 -103.76 0.17 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.459 1.1 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.511 ' CB ' ' HG2' ' A' ' 34' ' ' GLU . 0.8 OUTLIER -88.76 -98.22 0.09 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 34' ' ' GLU . 47.4 m -147.88 157.14 43.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.371 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.48 ' O ' HD21 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -44.34 -53.03 7.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.296 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -59.55 -27.4 66.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.282 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.592 ' CG ' HD22 ' A' ' 25' ' ' LEU . 2.0 tp10 -67.6 -55.01 15.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.1 . . . . 0.0 110.296 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.843 ' HG ' ' CD1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -48.39 -32.96 8.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.635 ' N ' ' CD2' ' A' ' 35' ' ' LEU . 26.3 tt0 -70.85 -49.26 48.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.627 ' CG1' HD22 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -63.76 -56.86 14.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.794 ' HB2' ' CD2' ' A' ' 171' ' ' PHE . 9.7 mt -64.59 -43.84 92.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.817 ' HA3' ' CD2' ' A' ' 22' ' ' PHE . . . -59.82 -51.96 55.81 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.99 105.93 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 0.753 . . . . 0.0 110.292 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.41 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 1.5 tp10 -142.76 101.68 3.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 110.294 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.566 ' O ' ' CD2' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -96.93 109.11 47.42 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.467 ' O ' ' N ' ' A' ' 45' ' ' GLN . 18.3 Cg_endo -74.97 92.87 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.476 1.777 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 41.4 t -40.51 96.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 43' ' ' PRO . 2.5 tt0 38.71 90.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.524 ' O ' ' N ' ' A' ' 48' ' ' TRP . . . -78.93 56.45 1.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.449 ' O ' ' HB3' ' A' ' 48' ' ' TRP . 28.7 t80 -41.18 91.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.642 ' O ' ' CG ' ' A' ' 48' ' ' TRP . 0.8 OUTLIER 177.04 37.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.518 ' O ' ' CB ' ' A' ' 50' ' ' ALA . 33.6 mt-10 -111.56 150.11 30.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.518 ' CB ' ' O ' ' A' ' 49' ' ' GLU . . . 161.45 82.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.475 ' O ' ' C ' ' A' ' 52' ' ' LEU . 0.6 OUTLIER -164.0 114.62 1.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.334 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.475 ' C ' ' O ' ' A' ' 51' ' ' ASP . 0.8 OUTLIER -34.9 -82.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -166.45 113.83 0.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.268 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -82.68 151.99 26.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -139.16 153.59 47.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.261 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 pp -170.98 95.51 0.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -171.79 123.19 0.52 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 39.7 p -86.59 -78.29 0.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.435 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -163.1 -65.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.64 124.61 4.45 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.444 1.09 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.1 p 179.57 146.75 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 0.8 . . . . 0.0 109.972 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -174.9 129.58 0.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.428 1.08 . . . . 0.0 110.29 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -138.9 157.55 45.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 89.4 p -119.38 142.69 47.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.002 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 66' ' ' SER . 0.1 OUTLIER -152.71 -51.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 65' ' ' ARG . 0.3 OUTLIER -36.08 125.55 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.991 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -45.24 171.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.983 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -75.88 166.24 23.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 70' ' ' GLY . 1.1 tt0 -132.58 169.74 16.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 0.0 110.301 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 69' ' ' GLN . . . -37.87 -59.48 1.38 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.511 1.132 . . . . 0.0 111.04 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -106.66 88.96 2.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 0.0 110.329 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.2 tt -49.96 141.17 3.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.434 ' N ' ' OE1' ' A' ' 73' ' ' GLU . 5.0 pm0 -110.56 114.64 54.76 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 173.61 14.22 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.517 1.799 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 74.66 117.94 0.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 32.9 p 178.03 156.69 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.045 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 74.5 168.72 0.29 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 110.289 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.6 m 62.03 133.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.011 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.93 66.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -138.15 -76.28 0.38 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -117.24 53.03 0.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 110.266 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -90.71 -22.32 6.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.477 ' O ' ' CG1' ' A' ' 86' ' ' ILE . 0.7 OUTLIER -52.79 -46.49 51.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.558 ' CE1' HD13 ' A' ' 16' ' ' ILE . 69.9 m80 -61.4 -36.69 81.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.646 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.525 ' O ' ' CG ' ' A' ' 88' ' ' ARG . 3.3 t30 -55.51 -51.26 67.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.493 HD11 ' CG1' ' A' ' 186' ' ' VAL . 2.5 pt -63.19 -27.39 43.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.664 ' O ' ' HB2' ' A' ' 90' ' ' LEU . . . -55.51 -55.92 26.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.568 ' O ' ' CB ' ' A' ' 27' ' ' SER . 9.0 ptp180 -63.68 -40.92 98.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.267 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.532 ' NE2' ' CD1' ' A' ' 93' ' ' ILE . 11.8 t-160 -58.64 -18.73 32.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.584 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.664 ' HB2' ' O ' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -61.0 -67.36 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 1.026 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . . . -48.93 -54.53 15.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.418 ' HB2' ' OG ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -51.91 -27.12 11.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.532 ' CD1' ' NE2' ' A' ' 89' ' ' HIS . 1.1 tp -69.29 -36.89 74.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.423 ' N ' HG21 ' A' ' 93' ' ' ILE . . . -62.73 -54.82 30.9 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -63.1 -49.22 75.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 0.776 . . . . 0.0 109.327 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -60.66 -45.14 95.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.528 ' CG ' ' O ' ' A' ' 93' ' ' ILE . 15.0 mmm -54.58 -30.37 54.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.102 . . . . 0.0 111.039 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 97' ' ' MET . 44.4 t0 -37.36 -32.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 97' ' ' MET . 0.6 OUTLIER -51.82 -48.68 63.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.605 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 97' ' ' MET . 1.2 t-20 -144.6 86.57 1.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.681 ' CG2' ' O ' ' A' ' 101' ' ' ILE . 0.7 OUTLIER -117.13 54.5 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.662 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 0.0 OUTLIER 157.26 58.59 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.365 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.662 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.3 Cg_endo -75.01 3.69 5.4 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.469 1.773 . . . . 0.0 110.985 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.668 ' O ' ' CB ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -172.64 5.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.395 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.668 ' CB ' ' O ' ' A' ' 104' ' ' THR . 0.5 OUTLIER 103.88 28.85 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.719 ' CG1' ' N ' ' A' ' 107' ' ' ARG . 0.9 OUTLIER -64.27 -79.44 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.142 . . . . 0.0 109.305 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.719 ' N ' ' CG1' ' A' ' 106' ' ' VAL . 4.8 ttp180 -55.59 -21.55 17.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.328 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.468 ' O ' ' HB3' ' A' ' 112' ' ' GLN . 18.6 tt0 -65.27 -40.72 94.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 110.272 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.895 HD22 ' CZ ' ' A' ' 138' ' ' PHE . 0.2 OUTLIER -63.79 -61.32 2.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 1.139 ' O ' ' CD2' ' A' ' 113' ' ' PHE . . . -50.26 -53.6 27.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.43 -16.03 59.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.761 ' HG2' ' N ' ' A' ' 113' ' ' PHE . 0.7 OUTLIER -63.45 -46.79 84.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 1.139 ' CD2' ' O ' ' A' ' 110' ' ' ALA . 3.3 p90 -63.5 -43.17 98.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.827 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 2.0 ttm -52.58 119.06 4.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.437 ' CG ' ' N ' ' A' ' 116' ' ' GLY . 23.1 p-10 -140.61 -155.38 0.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.437 ' N ' ' CG ' ' A' ' 115' ' ' ASN . . . -160.11 60.73 0.3 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.525 1.141 . . . . 0.0 110.98 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.0 m -155.38 22.1 0.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 0.0 109.994 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.472 ' CD1' ' HA ' ' A' ' 123' ' ' LYS . 3.8 mt -72.46 -92.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.646 ' C ' ' H ' ' A' ' 121' ' ' GLU . 3.5 t -144.21 57.06 1.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.008 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.529 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 0.8 OUTLIER 63.47 -11.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.279 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.646 ' H ' ' C ' ' A' ' 119' ' ' SER . 3.2 mt-10 158.52 77.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.453 ' O ' ' CG ' ' A' ' 122' ' ' ASP . 22.5 t70 -141.89 33.31 1.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.472 ' HA ' ' CD1' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -58.61 -117.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.663 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 48.9 ttt180 68.27 -60.46 0.42 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.437 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 7.8 t-20 -68.81 -35.21 76.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.565 ' HB3' ' CD1' ' A' ' 113' ' ' PHE . 0.5 OUTLIER -48.74 -59.4 3.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 108.294 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.938 ' HA ' ' CZ ' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -51.31 -67.57 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.51 ' O ' HD11 ' A' ' 131' ' ' LEU . . . -43.82 -33.04 1.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.437 ' HB2' ' O ' ' A' ' 125' ' ' ASN . 0.3 OUTLIER -55.79 -34.74 65.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.348 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.816 ' HB3' ' CD2' ' A' ' 113' ' ' PHE . . . -72.49 -38.37 68.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 1.0 ' O ' ' HB2' ' A' ' 135' ' ' LYS . 0.0 OUTLIER -48.3 -44.21 33.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 1.103 ' O ' ' OG1' ' A' ' 136' ' ' THR . 32.4 t0 -67.71 -62.11 1.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.522 ' CB ' HD12 ' A' ' 109' ' ' LEU . 3.9 mm-40 -52.01 -61.76 2.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.755 ' HA ' HD22 ' A' ' 109' ' ' LEU . 9.6 p -58.4 -44.06 87.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . 1.0 ' HB2' ' O ' ' A' ' 131' ' ' LEU . 0.4 OUTLIER -82.57 29.25 0.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' THR . . . . . 1.103 ' OG1' ' O ' ' A' ' 132' ' ' ASP . 35.0 p -160.34 34.33 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.351 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.646 ' C ' ' HD3' ' A' ' 139' ' ' PRO . . . -146.03 -63.11 0.32 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 0.895 ' CZ ' HD22 ' A' ' 109' ' ' LEU . 0.8 OUTLIER -123.98 50.35 3.46 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.981 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.646 ' HD3' ' C ' ' A' ' 137' ' ' ALA . 18.3 Cg_endo -74.99 161.62 38.48 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.487 1.782 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . 0.793 ' HB2' ' CG ' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 168.26 -144.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . 0.596 ' O ' ' N ' ' A' ' 145' ' ' ASP . 6.9 m-20 -85.49 -147.35 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' MET . . . . . 0.553 ' O ' ' CB ' ' A' ' 146' ' ' LYS . 0.1 OUTLIER -52.77 -35.22 56.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.995 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.11 -62.88 1.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.272 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . 0.793 ' CG ' ' HB2' ' A' ' 140' ' ' ARG . 0.9 OUTLIER -76.48 -52.99 8.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.596 ' N ' ' O ' ' A' ' 141' ' ' ASP . 36.1 t0 -41.31 -54.03 3.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.553 ' CB ' ' O ' ' A' ' 142' ' ' MET . 14.9 ttpt -53.31 -29.87 35.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.627 ' CB ' ' O ' ' A' ' 144' ' ' ASN . . . -54.27 -56.38 18.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' MET . . . . . 0.684 ' HA ' HG23 ' A' ' 134' ' ' VAL . 0.0 OUTLIER -52.05 -57.42 9.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 111.023 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.526 ' O ' HG23 ' A' ' 152' ' ' THR . 4.4 mp -52.26 -38.5 58.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . 0.504 ' CD1' ' HG3' ' A' ' 97' ' ' MET . 0.3 OUTLIER -61.52 -27.83 42.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' MET . . . . . 0.864 ' HB2' ' CE2' ' A' ' 177' ' ' PHE . 2.8 mmm -60.81 -59.64 5.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.964 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' THR . . . . . 0.946 ' OG1' ' O ' ' A' ' 173' ' ' THR . 4.8 t -54.18 -44.28 71.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.412 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' MET . . . . . 0.511 ' N ' HG21 ' A' ' 152' ' ' THR . 24.3 mtm -64.0 -32.16 73.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.954 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.75 ' C ' ' CD2' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -54.68 -54.36 42.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.742 ' O ' ' N ' ' A' ' 159' ' ' VAL . 5.0 mp -49.51 -57.34 7.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . 0.637 ' O ' ' N ' ' A' ' 160' ' ' ALA . . . -56.16 -50.65 70.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.47 -54.64 13.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . 0.717 ' O ' ' N ' ' A' ' 162' ' ' HIS . 0.9 OUTLIER -75.79 -58.31 3.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . 0.742 ' N ' ' O ' ' A' ' 155' ' ' LEU . 58.1 t -47.07 -46.22 8.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.132 . . . . 0.0 109.309 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . 0.637 ' N ' ' O ' ' A' ' 156' ' ' ALA . . . -33.12 -51.85 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.09 -10.91 13.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.575 1.172 . . . . 0.0 110.002 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . 0.717 ' N ' ' O ' ' A' ' 158' ' ' LYS . 13.4 t-80 -87.39 -51.2 6.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.629 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 0.608 ' CB ' ' CG1' ' A' ' 159' ' ' VAL . . . -116.98 79.59 10.5 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' PRO . . . . . 0.407 ' HD3' ' C ' ' A' ' 162' ' ' HIS . 18.3 Cg_endo -74.99 0.56 8.75 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.553 1.817 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.4 -15.55 20.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.037 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 1.6 mt -115.15 34.92 4.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . 0.791 ' N ' HD11 ' A' ' 167' ' ' LEU . 0.0 OUTLIER -47.4 -53.88 12.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . 0.74 ' H ' HD11 ' A' ' 167' ' ' LEU . 0.5 OUTLIER -54.6 -40.38 68.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.326 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . 0.596 ' O ' ' OG1' ' A' ' 173' ' ' THR . 0.9 OUTLIER -66.67 -37.74 85.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 170' ' ' VAL . . . . . 0.606 ' CG2' ' HA ' ' A' ' 156' ' ' ALA . 1.2 t -46.99 -60.43 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . 0.816 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 0.1 OUTLIER -58.58 -49.06 78.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 110.966 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 172' ' ' HIS . . . . . 0.567 ' O ' ' CB ' ' A' ' 176' ' ' ASN . 18.6 t60 -52.84 -30.74 35.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.592 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 173' ' ' THR . . . . . 0.946 ' O ' ' OG1' ' A' ' 152' ' ' THR . 5.7 m -62.78 -68.9 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.421 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 174' ' ' THR . . . . . 0.815 HG21 ' O ' ' A' ' 171' ' ' PHE . 0.6 OUTLIER -44.27 -58.98 2.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.37 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 175' ' ' VAL . . . . . 0.892 ' CG2' ' HB ' ' A' ' 21' ' ' VAL . 2.8 t -74.47 8.83 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . 0.876 ' HB3' ' O ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -84.3 -55.93 3.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . 0.948 ' O ' ' N ' ' A' ' 181' ' ' ASN . 0.6 OUTLIER -60.61 -55.77 29.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 111.01 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . 0.601 HD12 ' HG ' ' A' ' 20' ' ' LEU . 3.0 mt -45.85 -56.41 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . 0.611 ' OD1' ' O ' ' A' ' 176' ' ' ASN . 0.1 OUTLIER -59.28 -37.19 77.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.28 14.74 31.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.948 ' N ' ' O ' ' A' ' 177' ' ' PHE . 43.2 t30 -98.22 -140.63 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . 0.589 ' H ' ' CG ' ' A' ' 181' ' ' ASN . 0.1 OUTLIER -94.0 30.73 1.79 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 183' ' ' PHE . . . . . 0.72 ' O ' ' CD2' ' A' ' 183' ' ' PHE . 0.1 OUTLIER 31.45 99.35 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.157 . . . . 0.0 111.025 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 184' ' ' SER . . . . . 0.482 ' CB ' ' HB2' ' A' ' 187' ' ' ARG . 0.1 OUTLIER 80.11 64.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.984 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 185' ' ' TYR . . . . . 0.659 ' CG ' ' N ' ' A' ' 186' ' ' VAL . 0.0 OUTLIER -52.91 -77.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 111.04 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 186' ' ' VAL . . . . . 0.659 ' N ' ' CG ' ' A' ' 185' ' ' TYR . 3.9 m -44.33 -40.7 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . 0.493 ' O ' ' CG1' ' A' ' 190' ' ' VAL . 0.0 OUTLIER -53.03 -44.42 67.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.286 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 188' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -62.91 -45.26 93.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.71 -54.21 44.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . 0.493 ' CG1' ' O ' ' A' ' 187' ' ' ARG . 7.2 p -60.91 -44.69 98.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -52.78 -45.29 67.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.23 -45.49 93.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -124.18 94.6 4.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 194' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.9 134.22 54.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.257 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mmt . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.492 0.186 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.06 -63.87 1.01 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.8 t -171.7 158.77 5.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.031 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 176.73 111.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.273 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.473 ' O ' ' CB ' ' A' ' 6' ' ' SER . 14.6 p -172.93 162.27 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 5' ' ' VAL . 0.3 OUTLIER 84.04 147.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.04 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 16.1 p30 176.82 150.02 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -94.15 175.38 34.89 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.507 1.129 . . . . 0.0 110.989 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.0 m -123.7 48.58 1.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 0.735 . . . . 0.0 110.017 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 47.2 -166.78 0.1 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.526 1.141 . . . . 0.0 110.947 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.0 mt -168.53 178.31 4.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 0.772 . . . . 0.0 109.25 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -73.09 57.97 1.85 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.111 . . . . 0.0 110.96 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.603 ' HB2' ' CD2' ' A' ' 183' ' ' PHE . . . -177.39 141.17 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 0.769 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.477 ' CB ' ' O ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER 164.55 -27.03 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 37.0 p-80 -54.25 -44.16 71.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.607 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.618 ' CG2' ' CE2' ' A' ' 183' ' ' PHE . 4.5 tp -54.53 -32.64 25.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.612 ' CG2' ' HB ' ' A' ' 178' ' ' ILE . 4.0 m -54.74 -49.71 70.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.428 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -48.75 -40.88 30.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.439 ' HG ' ' NE2' ' A' ' 84' ' ' HIS . 2.5 mm? -62.81 -32.03 73.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.622 ' CD2' ' CD2' ' A' ' 90' ' ' LEU . 0.7 OUTLIER -64.34 -40.04 95.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.872 ' HB ' HG23 ' A' ' 175' ' ' VAL . 0.5 OUTLIER -61.74 -64.5 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.692 ' N ' ' CG1' ' A' ' 21' ' ' VAL . 1.1 t80 -62.01 -31.6 71.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -73.57 -37.57 52.56 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 1.084 ' CE2' ' HA ' ' A' ' 91' ' ' ALA . 0.6 OUTLIER -56.86 -55.29 36.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 111.012 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.833 HD23 ' CE1' ' A' ' 171' ' ' PHE . 2.2 tp -56.19 -45.2 79.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.475 ' N ' HD23 ' A' ' 35' ' ' LEU . 1.4 tm0? -58.23 -31.85 67.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.558 ' CB ' ' O ' ' A' ' 88' ' ' ARG . 18.7 t -59.17 -84.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.976 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 t -141.92 37.6 1.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.419 ' HA3' ' HA ' ' A' ' 25' ' ' LEU . . . -83.71 -123.77 0.99 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.476 1.11 . . . . 0.0 110.966 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.511 ' HB3' ' CB ' ' A' ' 34' ' ' GLU . 14.1 t -89.46 -96.65 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.549 ' O ' ' CD2' ' A' ' 35' ' ' LEU . 87.0 m -145.51 169.77 17.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.417 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.702 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 2.2 ttt180 -51.75 -48.33 63.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.425 ' O ' HG22 ' A' ' 37' ' ' VAL . 18.2 tt0 -57.25 -29.84 64.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.521 ' CD ' HD22 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -70.61 -57.29 4.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.329 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.772 ' N ' HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -49.63 -32.13 12.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -64.47 -47.89 77.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.309 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.451 ' CG1' ' CD2' ' A' ' 167' ' ' LEU . 2.0 t -63.98 -57.98 9.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.78 ' HB2' ' CD2' ' A' ' 171' ' ' PHE . 7.5 mt -63.82 -47.36 81.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.674 ' HA3' ' CD2' ' A' ' 22' ' ' PHE . . . -51.56 -45.19 54.18 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.491 1.119 . . . . 0.0 110.967 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.2 ttt85 173.08 121.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 0.743 . . . . 0.0 110.275 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.435 ' OE1' ' N ' ' A' ' 41' ' ' GLU . 2.3 pm0 -135.08 141.59 46.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -100.87 106.68 45.52 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' A' ' 41' ' ' GLU . 18.2 Cg_endo -74.97 169.81 21.8 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.512 1.796 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.402 ' O ' ' HB2' ' A' ' 45' ' ' GLN . 5.8 t -45.09 -83.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.402 ' HB2' ' O ' ' A' ' 44' ' ' VAL . 3.3 mm-40 66.4 -94.38 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 110.321 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 47' ' ' TYR . . . 49.1 40.71 18.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.455 ' O ' ' HB2' ' A' ' 48' ' ' TRP . 21.3 t80 -33.11 111.86 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 111.022 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.509 ' HA ' ' CE3' ' A' ' 48' ' ' TRP . 0.0 OUTLIER 166.99 127.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.543 ' O ' ' CB ' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -134.16 65.46 1.57 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 110.262 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.543 ' CB ' ' O ' ' A' ' 49' ' ' GLU . . . 160.59 54.09 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 178.39 164.71 0.76 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.8 tp -178.73 50.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -151.29 -171.22 3.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.344 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -110.2 157.64 19.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -179.21 170.25 1.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.309 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.3 tt 65.04 135.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.52 170.51 8.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.25 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 t -86.67 53.9 2.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.412 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 72.3 162.57 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.86 -81.43 0.18 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 111.047 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 82.1 p -45.47 133.33 7.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 0.781 . . . . 0.0 110.019 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -70.84 90.38 0.8 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.256 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.05 165.16 22.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 28.7 p -48.08 139.45 8.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 109.997 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.537 ' O ' ' CB ' ' A' ' 66' ' ' SER . 0.1 OUTLIER -91.45 127.67 36.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 110.296 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.537 ' CB ' ' O ' ' A' ' 65' ' ' ARG . 0.4 OUTLIER 155.47 85.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.454 1.096 . . . . 0.0 110.009 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -40.64 117.11 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 111.011 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.446 ' N ' ' OD1' ' A' ' 68' ' ' ASN . 6.6 p-10 -66.1 100.17 0.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -163.97 155.57 16.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 110.308 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 133.28 167.72 11.73 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.447 1.092 . . . . 0.0 111.025 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -100.35 171.43 7.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.761 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 13.5 mm -52.15 128.23 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -127.03 82.03 68.83 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.33 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -165.16 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.524 1.802 . . . . 0.0 110.981 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -47.88 126.76 10.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 78.2 p -135.39 66.47 1.52 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.033 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -117.72 173.66 6.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.259 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 88.3 p -65.58 83.76 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.988 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 179.17 -42.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.351 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 63.69 110.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.321 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -41.36 160.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.331 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -81.69 -44.19 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.475 ' O ' ' CG1' ' A' ' 86' ' ' ILE . 5.1 pt -53.44 -47.77 58.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.508 ' CE1' HD12 ' A' ' 16' ' ' ILE . 59.6 m80 -60.37 -31.95 70.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.561 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -59.17 -52.14 66.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.306 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.475 ' CG1' ' O ' ' A' ' 83' ' ' ILE . 4.0 pt -61.47 -31.91 51.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.571 ' O ' ' HB2' ' A' ' 90' ' ' LEU . . . -55.34 -50.42 69.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.558 ' O ' ' CB ' ' A' ' 27' ' ' SER . 1.0 OUTLIER -65.95 -52.58 48.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 110.329 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.691 ' CE1' ' CG1' ' A' ' 93' ' ' ILE . 33.5 t-80 -51.8 -18.57 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.56 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.622 ' CD2' ' CD2' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -59.07 -64.18 1.03 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 1.084 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . . . -54.44 -58.06 8.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.428 ' HB2' ' OG ' ' A' ' 27' ' ' SER . 1.0 OUTLIER -49.38 -31.28 9.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 110.306 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.691 ' CG1' ' CE1' ' A' ' 89' ' ' HIS . 2.2 mm -70.86 -32.63 49.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.43 ' HA2' ' SD ' ' A' ' 153' ' ' MET . . . -60.16 -53.04 49.02 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.465 1.103 . . . . 0.0 110.979 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.476 ' N ' ' HD2' ' A' ' 157' ' ' LYS . 10.1 t70 -63.09 -52.76 61.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 0.759 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.63 -39.95 81.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.552 ' HB2' ' O ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -51.29 -51.04 57.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.434 ' OD2' ' O ' ' A' ' 95' ' ' ASP . 0.0 OUTLIER -39.21 -30.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.447 ' N ' ' C ' ' A' ' 97' ' ' MET . 19.8 t-160 -55.58 -48.8 74.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.617 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' A' ' 97' ' ' MET . 0.7 OUTLIER -145.31 88.02 1.84 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.53 ' CG2' ' O ' ' A' ' 101' ' ' ILE . 0.5 OUTLIER -147.67 95.35 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.92 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 0.0 OUTLIER 159.35 49.82 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.287 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.92 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.3 Cg_endo -75.0 -18.95 18.3 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.519 1.799 . . . . 0.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.691 ' O ' ' CB ' ' A' ' 105' ' ' LEU . 1.8 p -150.04 2.75 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.39 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.691 ' CB ' ' O ' ' A' ' 104' ' ' THR . 4.6 mt 104.48 40.86 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.778 ' HA ' ' CE2' ' A' ' 138' ' ' PHE . 0.0 OUTLIER -50.16 -88.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.927 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.593 ' O ' ' CB ' ' A' ' 111' ' ' ALA . 18.7 ttp180 -48.26 -22.02 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.494 ' CB ' ' HB3' ' A' ' 105' ' ' LEU . 0.7 OUTLIER -65.99 -51.21 60.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 1.219 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 0.4 OUTLIER -67.93 -62.68 1.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 1.169 ' O ' ' CD2' ' A' ' 113' ' ' PHE . . . -48.07 -23.97 0.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.593 ' CB ' ' O ' ' A' ' 107' ' ' ARG . . . -72.67 -46.39 54.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 1.219 ' HG3' ' O ' ' A' ' 109' ' ' LEU . 0.6 OUTLIER -52.78 -42.78 65.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.277 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 1.169 ' CD2' ' O ' ' A' ' 110' ' ' ALA . 0.1 OUTLIER -58.48 -42.6 87.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.893 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -49.78 110.27 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 111.035 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.419 ' O ' ' O ' ' A' ' 116' ' ' GLY . 0.7 OUTLIER -146.83 -176.66 5.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.353 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 115' ' ' ASN . . . 40.23 -163.68 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.509 1.13 . . . . 0.0 110.977 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.436 ' O ' ' HB3' ' A' ' 118' ' ' LEU . 18.7 m -157.21 69.39 0.57 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 0.745 . . . . 0.0 110.013 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.479 ' CB ' ' HA ' ' A' ' 122' ' ' ASP . 0.0 OUTLIER 70.57 89.25 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.536 ' O ' ' CG ' ' A' ' 120' ' ' GLU . 3.3 t -134.49 123.57 24.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.415 1.072 . . . . 0.0 109.997 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.536 ' CG ' ' O ' ' A' ' 119' ' ' SER . 0.2 OUTLIER 88.68 -26.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.271 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.492 ' CB ' ' O ' ' A' ' 120' ' ' GLU . 0.6 OUTLIER 160.26 65.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 124' ' ' ARG . 0.4 OUTLIER 55.53 17.88 2.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.282 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.487 ' C ' ' H ' ' A' ' 125' ' ' ASN . 0.0 OUTLIER 54.15 -88.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' A' ' 122' ' ' ASP . 9.0 ttt180 77.31 -25.47 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.578 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 3.4 t-20 -65.62 -43.06 90.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.59 ' C ' ' CD1' ' A' ' 113' ' ' PHE . 0.1 OUTLIER -48.42 -60.36 2.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 108.334 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.834 ' HA ' ' CZ ' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -52.08 -62.19 1.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.514 ' O ' ' CD2' ' A' ' 131' ' ' LEU . . . -49.69 -35.42 21.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.578 ' HB2' ' O ' ' A' ' 125' ' ' ASN . 0.0 OUTLIER -60.71 -23.44 64.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.901 ' HB1' ' CD2' ' A' ' 113' ' ' PHE . . . -69.65 -53.49 18.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.652 ' O ' ' CB ' ' A' ' 135' ' ' LYS . 0.0 OUTLIER -45.64 -41.12 9.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.568 ' O ' ' CG2' ' A' ' 136' ' ' THR . 36.1 t0 -61.01 -53.68 54.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.847 ' O ' ' OG1' ' A' ' 136' ' ' THR . 1.0 OUTLIER -59.06 -60.28 4.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.766 ' HA ' ' CD2' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -55.32 -33.16 30.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.283 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . 0.652 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 2.4 ttpt -77.95 -2.33 36.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.257 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' THR . . . . . 0.847 ' OG1' ' O ' ' A' ' 133' ' ' GLU . 19.2 p -113.01 -15.85 12.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.416 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.635 ' C ' ' HD3' ' A' ' 139' ' ' PRO . . . -106.05 -50.37 3.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 0.809 ' CZ ' ' CD2' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -119.97 60.47 6.77 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 0.0 110.995 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.699 ' C ' ' HB2' ' A' ' 144' ' ' ASN . 18.4 Cg_endo -74.97 146.23 32.53 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.523 1.802 . . . . 0.0 111.019 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . 0.75 ' N ' ' CB ' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 161.63 -163.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 0.0 110.318 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . 0.714 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 6.7 m-20 -92.94 -104.28 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' MET . . . . . 0.608 ' HA ' ' CE2' ' A' ' 185' ' ' TYR . 0.1 OUTLIER -59.77 -31.86 70.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.108 . . . . 0.0 111.001 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . 0.5 ' O ' ' HB1' ' A' ' 147' ' ' ALA . 2.5 mm-40 -69.41 -62.69 1.28 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . 0.75 ' CB ' ' N ' ' A' ' 140' ' ' ARG . 14.0 t30 -69.14 -59.62 2.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.714 ' CB ' ' O ' ' A' ' 141' ' ' ASP . 11.9 t0 -38.85 -54.83 1.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.548 ' NZ ' ' CB ' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -67.01 -30.58 70.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.58 ' N ' ' O ' ' A' ' 144' ' ' ASN . . . -64.7 -61.97 1.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' MET . . . . . 0.611 ' HG2' ' O ' ' A' ' 145' ' ' ASP . 13.1 ptp -53.19 -41.68 65.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.516 ' N ' ' HG3' ' A' ' 148' ' ' MET . 3.1 tp -61.04 -42.05 97.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . 0.553 ' O ' ' CG ' ' A' ' 153' ' ' MET . 0.3 OUTLIER -53.45 -28.57 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' MET . . . . . 0.929 ' O ' HD23 ' A' ' 155' ' ' LEU . 3.1 mmm -62.84 -52.2 64.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' THR . . . . . 1.011 ' O ' HD21 ' A' ' 155' ' ' LEU . 0.6 OUTLIER -45.67 -50.87 13.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.407 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' MET . . . . . 0.553 ' CG ' ' O ' ' A' ' 150' ' ' ILE . 23.5 ptp -69.1 -20.75 64.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.866 ' CD1' HD11 ' A' ' 155' ' ' LEU . 0.4 OUTLIER -59.71 -55.06 39.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 1.011 HD21 ' O ' ' A' ' 152' ' ' THR . 0.0 OUTLIER -50.81 -62.8 1.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . 0.651 ' O ' ' HB2' ' A' ' 161' ' ' SER . . . -52.11 -53.83 37.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.738 ' HA ' ' CB ' ' A' ' 161' ' ' SER . 11.7 mmtt -47.14 -50.05 21.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . 0.656 ' O ' ' N ' ' A' ' 163' ' ' ALA . 19.3 mmmt -75.16 -44.41 46.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . 1.078 ' O ' ' N ' ' A' ' 163' ' ' ALA . 10.5 t -69.41 -130.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . 0.659 ' H ' HG13 ' A' ' 159' ' ' VAL . . . -26.69 -62.19 0.08 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' SER . . . . . 0.738 ' CB ' ' HA ' ' A' ' 157' ' ' LYS . 0.3 OUTLIER -49.63 -12.56 0.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.993 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . 0.965 ' N ' ' O ' ' A' ' 159' ' ' VAL . 2.5 m-70 -152.64 -49.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.596 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 1.078 ' N ' ' O ' ' A' ' 159' ' ' VAL . . . -111.84 95.33 28.16 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 162' ' ' HIS . 18.2 Cg_endo -75.02 50.75 2.61 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.531 1.806 . . . . 0.0 111.019 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 30.6 t -99.42 -22.69 15.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 0.0 110.012 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . 0.596 ' O ' ' HB ' ' A' ' 170' ' ' VAL . 5.6 mp -131.91 85.02 2.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.378 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . 0.772 ' CD2' HD22 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -62.46 -85.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . 0.499 ' HG2' ' N ' ' A' ' 169' ' ' ASP . 0.0 OUTLIER -53.98 -36.14 62.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . 0.499 ' N ' ' HG2' ' A' ' 168' ' ' ARG . 0.5 OUTLIER -61.38 -37.6 84.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 170' ' ' VAL . . . . . 0.618 ' CG2' ' HB ' ' A' ' 159' ' ' VAL . 1.2 t -54.96 -62.39 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . 0.848 ' O ' HG21 ' A' ' 174' ' ' THR . 0.7 OUTLIER -51.99 -44.41 64.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 111.055 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 172' ' ' HIS . . . . . 0.519 ' O ' ' CB ' ' A' ' 176' ' ' ASN . 46.5 t60 -61.05 -32.17 71.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.576 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 173' ' ' THR . . . . . 0.79 HG23 ' CD2' ' A' ' 155' ' ' LEU . 21.5 m -66.93 -48.36 68.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.434 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 174' ' ' THR . . . . . 0.848 HG21 ' O ' ' A' ' 171' ' ' PHE . 0.6 OUTLIER -65.5 -61.59 2.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.437 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 175' ' ' VAL . . . . . 0.872 HG23 ' HB ' ' A' ' 21' ' ' VAL . 2.1 t -65.77 1.51 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . 0.768 ' CB ' HD11 ' A' ' 127' ' ' LEU . 0.0 OUTLIER -74.43 -59.97 2.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . 0.862 ' CZ ' ' HB2' ' A' ' 151' ' ' MET . 2.9 m-85 -51.01 -50.15 59.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.122 . . . . 0.0 111.035 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . 0.612 ' HB ' ' CG2' ' A' ' 17' ' ' THR . 3.1 mp -64.84 -46.3 92.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.461 1.1 . . . . 0.0 109.271 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . 0.538 ' CB ' ' O ' ' A' ' 175' ' ' VAL . 1.8 t-20 -56.14 -35.95 67.72 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 180' ' ' GLN . . . . . 0.488 ' HB2' ' O ' ' A' ' 177' ' ' PHE . 7.5 mm100 -56.71 -101.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.257 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -121.08 -2.12 9.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.268 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . 0.525 ' CD1' ' N ' ' A' ' 182' ' ' LEU . 0.0 OUTLIER -95.83 36.35 1.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 183' ' ' PHE . . . . . 0.618 ' CE2' ' CG2' ' A' ' 16' ' ' ILE . 4.1 t80 -33.16 -35.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 111.045 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 184' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 182' ' ' LEU . 1.2 m 163.77 105.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.041 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 185' ' ' TYR . . . . . 0.608 ' CE2' ' HA ' ' A' ' 142' ' ' MET . 25.1 t80 -57.76 -53.62 56.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 111.048 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 186' ' ' VAL . . . . . 0.463 HG13 ' CD1' ' A' ' 86' ' ' ILE . 7.2 p -50.05 -53.25 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . 0.453 ' N ' ' CG1' ' A' ' 186' ' ' VAL . 1.9 tmt_? -57.49 -44.15 84.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 188' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -54.57 -46.21 73.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.69 -44.86 96.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 54.9 t -55.56 -45.4 78.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -47.3 86.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -54.96 -48.44 73.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 43.8 -166.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.341 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 194' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.67 161.69 22.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 11.9 t70 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 179.993 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.496 0.189 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.405 ' O ' ' CB ' ' A' ' 3' ' ' SER . 4.5 p-10 167.4 132.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.6 OUTLIER 166.83 -170.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.016 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 71.33 -169.12 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.417 ' O ' ' CB ' ' A' ' 6' ' ' SER . 76.5 t 64.74 129.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.417 ' CB ' ' O ' ' A' ' 5' ' ' VAL . 4.5 t 165.6 76.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.061 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.429 ' N ' HD13 ' A' ' 166' ' ' LEU . 0.9 OUTLIER 172.9 117.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.423 ' N ' HD12 ' A' ' 166' ' ' LEU . . . -122.6 -143.67 6.51 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.528 1.143 . . . . 0.0 111.042 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.9 m -136.9 -90.31 0.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 0.744 . . . . 0.0 109.991 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.481 ' O ' ' CE1' ' A' ' 172' ' ' HIS . . . 165.28 -85.43 0.1 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 79.93 172.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 0.774 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 149.67 149.93 5.12 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.414 1.071 . . . . 0.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 14' ' ' LYS . . . -160.58 -88.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.573 ' HG3' ' CE2' ' A' ' 183' ' ' PHE . 0.0 OUTLIER -39.46 130.11 1.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.285 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -61.3 -51.06 70.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.598 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.474 HD12 ' CD1' ' A' ' 83' ' ' ILE . 6.6 tp -56.71 -46.22 82.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.617 HG21 HG11 ' A' ' 175' ' ' VAL . 0.8 OUTLIER -53.62 -64.47 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.397 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -48.88 -36.71 17.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 23' ' ' GLY . 2.3 mm? -60.8 -30.7 70.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.691 ' CD2' ' CD2' ' A' ' 90' ' ' LEU . 0.6 OUTLIER -65.1 -43.9 90.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.783 ' HB ' ' CG2' ' A' ' 175' ' ' VAL . 0.4 OUTLIER -58.08 -63.19 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.764 ' CD2' ' HA3' ' A' ' 39' ' ' GLY . 1.2 t80 -64.45 -29.49 70.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.521 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -72.17 -38.16 59.33 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.446 1.091 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 1.013 ' CE2' ' HA ' ' A' ' 91' ' ' ALA . 1.3 t80 -55.69 -56.5 19.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 0.756 . . . . 0.0 110.997 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.797 HD21 ' CZ ' ' A' ' 171' ' ' PHE . 6.2 tp -57.02 -47.33 81.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.542 ' HG3' ' N ' ' A' ' 27' ' ' SER . 0.3 OUTLIER -55.34 -29.68 58.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.292 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.551 ' CB ' ' O ' ' A' ' 88' ' ' ARG . 8.4 t -50.89 -66.32 0.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.998 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.4 m -103.26 -40.68 6.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.995 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.626 ' N ' ' O ' ' A' ' 25' ' ' LEU . . . 87.67 89.7 1.07 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.509 1.131 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.449 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -71.55 -59.64 2.65 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.603 ' CB ' ' HB2' ' A' ' 34' ' ' GLU . 0.9 OUTLIER -145.0 121.59 11.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.407 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.54 -58.93 2.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.483 ' O ' ' CG2' ' A' ' 37' ' ' VAL . 2.6 tt0 -57.76 -24.68 58.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.603 ' HB2' ' CB ' ' A' ' 31' ' ' THR . 1.9 tt0 -69.17 -64.4 0.88 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.776 ' N ' HD22 ' A' ' 25' ' ' LEU . 0.6 OUTLIER -43.87 -40.14 4.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.475 ' O ' ' O ' ' A' ' 40' ' ' ARG . 25.4 tt0 -71.96 -43.12 65.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.272 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.689 ' CG1' HD23 ' A' ' 167' ' ' LEU . 45.9 t -70.01 -57.17 8.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.86 ' HB2' ' CD2' ' A' ' 171' ' ' PHE . 0.4 OUTLIER -66.64 -42.42 86.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.764 ' HA3' ' CD2' ' A' ' 22' ' ' PHE . . . -48.22 -55.0 10.98 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.475 ' O ' ' O ' ' A' ' 36' ' ' GLU . 0.3 OUTLIER 171.55 172.55 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 0.759 . . . . 0.0 110.358 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.401 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -139.97 98.25 3.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.328 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.406 ' CD2' ' HD2' ' A' ' 40' ' ' ARG . 3.0 mm? -101.7 106.83 48.87 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.26 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 41' ' ' GLU . 18.3 Cg_endo -75.01 -163.94 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.473 1.775 . . . . 0.0 111.013 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 75.7 t -45.47 -85.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.02 171.24 0.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 110.285 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 47' ' ' TYR . . . -160.68 71.83 0.44 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.529 1.143 . . . . 0.0 109.35 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.493 ' O ' ' HB2' ' A' ' 48' ' ' TRP . 1.6 t80 -34.02 -61.18 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.505 ' HA ' ' CE3' ' A' ' 48' ' ' TRP . 0.0 OUTLIER 166.21 -54.27 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.469 ' O ' ' CB ' ' A' ' 50' ' ' ALA . 1.6 pt-20 40.59 92.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.337 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 49' ' ' GLU . . . 164.72 -75.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.467 ' O ' ' C ' ' A' ' 52' ' ' LEU . 8.5 t0 67.11 121.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.467 ' C ' ' O ' ' A' ' 51' ' ' ASP . 3.6 mt -34.39 128.48 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -89.21 146.78 24.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.29 99.84 9.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -55.24 172.23 0.14 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.4 175.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.0 tp60 74.91 93.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.269 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.7 t -86.55 156.73 19.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 110.411 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.05 -52.9 1.86 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 145.31 109.09 0.61 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.53 1.144 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.6 p -160.38 153.83 22.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 0.792 . . . . 0.0 109.993 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -150.67 -59.99 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 56.12 166.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 171.01 136.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.003 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.52 ' O ' ' CB ' ' A' ' 66' ' ' SER . 11.5 mtp-105 -149.58 168.08 24.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.293 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 65' ' ' ARG . 0.4 OUTLIER 157.99 147.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.999 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -170.15 163.59 9.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 111.035 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 39.2 p-10 176.2 155.12 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.28 167.28 10.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 44.03 94.84 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.546 1.154 . . . . 0.0 111.036 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.93 90.28 8.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 0.772 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.8 mp -72.16 147.88 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -129.34 81.58 69.87 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 68.76 5.68 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.502 1.791 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.42 119.3 7.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.4 p -171.71 -59.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.006 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -172.1 -41.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.282 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.4 t 69.74 74.75 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.123 . . . . 0.0 109.986 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -160.55 -73.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -71.72 -15.78 62.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.31 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 62.1 122.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 110.266 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 43.8 mt -85.73 -41.97 15.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.499 ' O ' ' CG2' ' A' ' 86' ' ' ILE . 23.8 pt -53.46 -50.03 51.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.444 ' O ' ' HB1' ' A' ' 87' ' ' ALA . 63.1 m80 -61.99 -40.33 95.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.58 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -55.25 -50.53 69.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.572 HG21 ' N ' ' A' ' 87' ' ' ALA . 7.7 tp -58.8 -33.6 49.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.58 ' O ' ' HB2' ' A' ' 90' ' ' LEU . . . -56.45 -52.91 62.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.551 ' O ' ' CB ' ' A' ' 27' ' ' SER . 2.2 mtp180 -65.79 -52.01 54.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.333 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.591 ' CE1' ' CG2' ' A' ' 93' ' ' ILE . 13.3 t-80 -50.4 -19.73 0.92 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.112 . . . . 0.0 109.635 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.691 ' CD2' ' CD2' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -56.13 -64.66 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 1.013 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . . . -57.85 -49.14 77.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.4 -47.15 37.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.61 ' O ' ' HB3' ' A' ' 97' ' ' MET . 3.0 pt -68.94 -22.83 26.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.564 ' O ' ' HG2' ' A' ' 97' ' ' MET . . . -58.95 -54.77 35.25 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.441 1.088 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -64.26 -43.41 94.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.435 ' O ' ' CB ' ' A' ' 99' ' ' HIS . 0.5 OUTLIER -63.56 -39.18 93.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.303 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.61 ' HB3' ' O ' ' A' ' 93' ' ' ILE . 2.4 ptm -51.84 -42.24 62.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 111.033 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.522 ' N ' ' HG2' ' A' ' 97' ' ' MET . 1.4 p-10 -52.4 -20.65 2.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.472 ' N ' ' OD1' ' A' ' 98' ' ' ASP . 21.8 t-80 -58.96 -53.69 55.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.614 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 23.3 p-10 -147.14 87.87 1.7 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.574 ' CG2' ' O ' ' A' ' 101' ' ' ILE . 0.2 OUTLIER -139.79 97.3 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.961 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 0.9 OUTLIER 161.07 48.13 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.266 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.961 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.2 Cg_endo -75.0 -22.51 14.73 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.527 1.804 . . . . 0.0 111.02 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.81 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 10.9 p -146.85 1.47 0.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.417 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.81 ' HB2' ' O ' ' A' ' 104' ' ' THR . 0.0 OUTLIER 106.5 44.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 1.017 ' HA ' ' CZ ' ' A' ' 138' ' ' PHE . 0.0 OUTLIER -54.96 -85.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.65 ' O ' ' CB ' ' A' ' 111' ' ' ALA . 28.3 ttp85 -53.32 -14.2 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.305 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.524 ' O ' ' HB1' ' A' ' 111' ' ' ALA . 0.1 OUTLIER -64.97 -58.42 6.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 110.298 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 1.263 ' O ' ' CG ' ' A' ' 112' ' ' GLN . 3.3 pp -66.78 -54.77 19.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 1.023 ' HA ' ' HB3' ' A' ' 130' ' ' ALA . . . -54.12 -20.52 6.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.247 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.65 ' CB ' ' O ' ' A' ' 107' ' ' ARG . . . -76.47 -41.26 47.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 1.263 ' CG ' ' O ' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -46.18 -58.78 3.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.354 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.843 ' CZ ' ' CD1' ' A' ' 155' ' ' LEU . 0.7 OUTLIER -63.16 -40.04 96.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.668 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 11.4 tmm? -45.56 -23.62 0.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.996 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.47 ' ND2' ' SD ' ' A' ' 114' ' ' MET . 4.1 m-80 -136.75 83.48 2.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 92.72 134.09 6.63 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.496 1.123 . . . . 0.0 110.983 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.478 ' CB ' ' HB3' ' A' ' 126' ' ' CYS . 32.1 t -155.5 -72.16 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 0.779 . . . . 0.0 110.029 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.671 ' CD1' ' H ' ' A' ' 119' ' ' SER . 0.2 OUTLIER -77.84 -120.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.671 ' H ' ' CD1' ' A' ' 118' ' ' LEU . 22.1 m -161.9 89.96 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.031 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.604 ' O ' ' HB2' ' A' ' 121' ' ' GLU . 15.6 tt0 153.27 -22.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.278 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.604 ' HB2' ' O ' ' A' ' 120' ' ' GLU . 0.1 OUTLIER 157.66 4.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.513 ' O ' ' O ' ' A' ' 121' ' ' GLU . 0.0 OUTLIER 53.22 112.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.661 ' HE3' ' CD1' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -88.47 -153.56 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.707 ' O ' HD13 ' A' ' 127' ' ' LEU . 0.0 OUTLIER -63.0 -6.23 3.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.32 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.603 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 29.2 t-20 -67.34 -41.23 85.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.639 ' O ' ' CG ' ' A' ' 113' ' ' PHE . 32.1 p -53.87 -55.74 24.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 108.301 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.795 ' HA ' ' CE1' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -52.82 -72.53 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.483 ' O ' ' CD2' ' A' ' 131' ' ' LEU . . . -47.87 -26.78 1.81 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.617 ' HB2' ' O ' ' A' ' 126' ' ' CYS . 0.2 OUTLIER -59.73 -31.6 69.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.138 . . . . 0.0 109.319 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 1.023 ' HB3' ' HA ' ' A' ' 110' ' ' ALA . . . -72.38 -46.74 54.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.568 ' O ' ' CB ' ' A' ' 135' ' ' LYS . 0.0 OUTLIER -40.28 -46.73 2.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.71 ' O ' ' HB ' ' A' ' 136' ' ' THR . 1.1 t70 -66.72 -51.31 57.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 109.267 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.479 ' OE1' ' CA ' ' A' ' 133' ' ' GLU . 0.3 OUTLIER -53.78 -62.92 1.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.266 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.922 ' HA ' HD23 ' A' ' 109' ' ' LEU . 0.1 OUTLIER -55.66 -38.67 51.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . 0.568 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 0.6 OUTLIER -78.56 8.83 4.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' THR . . . . . 0.71 ' HB ' ' O ' ' A' ' 132' ' ' ASP . 0.6 OUTLIER -116.51 -18.59 10.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.396 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.718 ' C ' ' HD3' ' A' ' 139' ' ' PRO . . . -109.48 -50.59 2.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 1.017 ' CZ ' ' HA ' ' A' ' 106' ' ' VAL . 0.0 OUTLIER -118.44 55.93 2.5 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 111.053 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.799 ' C ' ' HB2' ' A' ' 144' ' ' ASN . 18.4 Cg_endo -74.99 163.78 34.68 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.489 1.784 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . 0.747 ' N ' ' CB ' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 156.87 -170.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.28 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . 0.641 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 40.9 m-20 -85.4 -103.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' MET . . . . . 0.426 ' CB ' ' OH ' ' A' ' 185' ' ' TYR . 21.5 mtp -67.45 -32.12 72.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.55 -61.78 1.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.331 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . 0.799 ' HB2' ' C ' ' A' ' 139' ' ' PRO . 1.3 t30 -66.33 -54.68 21.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.641 ' CB ' ' O ' ' A' ' 141' ' ' ASP . 31.0 m-20 -38.62 -54.29 1.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.095 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.78 -34.28 77.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.569 ' N ' ' O ' ' A' ' 144' ' ' ASN . . . -60.15 -58.28 9.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' MET . . . . . 0.632 ' O ' ' HG3' ' A' ' 151' ' ' MET . 4.2 mtm -48.56 -53.1 19.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 111.019 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.523 ' CD2' HD22 ' A' ' 90' ' ' LEU . 0.2 OUTLIER -55.15 -43.38 74.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . 0.592 ' O ' ' CG ' ' A' ' 153' ' ' MET . 1.6 tt -48.78 -31.05 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' MET . . . . . 1.059 ' O ' ' CD2' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -65.02 -56.51 12.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' THR . . . . . 0.794 ' HB ' ' O ' ' A' ' 173' ' ' THR . 65.6 p -41.47 -51.55 3.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.357 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' MET . . . . . 0.592 ' CG ' ' O ' ' A' ' 150' ' ' ILE . 14.5 ptp -66.71 -26.58 67.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.685 ' C ' ' CD2' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -61.4 -51.68 67.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 1.059 ' CD2' ' O ' ' A' ' 151' ' ' MET . 0.0 OUTLIER -51.75 -52.29 49.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . 0.67 ' O ' ' N ' ' A' ' 160' ' ' ALA . . . -60.82 -54.57 43.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.457 ' O ' ' NZ ' ' A' ' 157' ' ' LYS . 0.0 OUTLIER -45.03 -51.57 9.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . 0.86 ' O ' ' N ' ' A' ' 162' ' ' HIS . 29.4 mmmt -74.74 -54.29 7.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . 0.657 ' HA ' ' H ' ' A' ' 163' ' ' ALA . 42.2 t -51.97 -56.85 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.352 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . 0.67 ' N ' ' O ' ' A' ' 156' ' ' ALA . . . -33.58 -35.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.353 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' ' 159' ' ' VAL . 0.4 OUTLIER -117.97 -13.25 10.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.014 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . 0.86 ' N ' ' O ' ' A' ' 158' ' ' LYS . 2.7 t60 -95.06 -52.21 4.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.605 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 0.657 ' H ' ' HA ' ' A' ' 159' ' ' VAL . . . -124.95 69.06 57.13 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' PRO . . . . . 0.475 ' HD3' ' C ' ' A' ' 162' ' ' HIS . 18.2 Cg_endo -75.03 3.68 5.42 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.456 1.766 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 89.9 p -95.64 3.07 54.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.019 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . 0.429 HD13 ' N ' ' A' ' 7' ' ' ASN . 0.6 OUTLIER -141.8 52.26 1.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . 0.77 ' C ' HD23 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -52.11 -26.67 11.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . 0.697 ' N ' HD11 ' A' ' 167' ' ' LEU . 0.0 OUTLIER -62.67 -55.83 23.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . 0.705 ' O ' ' OG1' ' A' ' 173' ' ' THR . 1.4 t70 -56.29 -36.57 68.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 170' ' ' VAL . . . . . 0.556 ' CG2' ' CG1' ' A' ' 159' ' ' VAL . 0.9 OUTLIER -50.29 -63.96 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . 0.86 ' CD2' ' HB2' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -56.6 -46.54 80.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 172' ' ' HIS . . . . . 0.556 ' O ' ' CB ' ' A' ' 176' ' ' ASN . 1.8 t60 -51.66 -42.83 62.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.604 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 173' ' ' THR . . . . . 0.958 ' CG2' ' HG ' ' A' ' 155' ' ' LEU . 1.3 m -53.91 -52.06 61.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.388 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 174' ' ' THR . . . . . 0.776 ' HA ' ' HB ' ' A' ' 152' ' ' THR . 13.5 p -56.31 -66.27 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.367 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 175' ' ' VAL . . . . . 0.783 ' CG2' ' HB ' ' A' ' 21' ' ' VAL . 4.0 t -74.94 14.84 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . 0.743 ' HB3' ' O ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -78.65 -56.7 4.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . 1.051 ' O ' ' N ' ' A' ' 181' ' ' ASN . 8.3 m-30 -69.09 -62.49 1.36 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . 0.597 ' CD1' ' N ' ' A' ' 179' ' ' ASN . 0.0 OUTLIER -48.61 -25.79 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.14 . . . . 0.0 109.327 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . 0.619 ' HB2' ' O ' ' A' ' 175' ' ' VAL . 0.7 OUTLIER -65.73 -55.95 14.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -111.49 -10.26 14.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 1.051 ' N ' ' O ' ' A' ' 177' ' ' PHE . 60.9 t30 -97.76 -85.16 0.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . 0.513 ' N ' ' HA ' ' A' ' 178' ' ' ILE . 0.2 OUTLIER -87.37 66.8 9.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 183' ' ' PHE . . . . . 0.573 ' CE2' ' HG3' ' A' ' 14' ' ' LYS . 7.6 t80 -51.42 -16.55 0.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 111.035 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 184' ' ' SER . . . . . 0.427 ' C ' ' N ' ' A' ' 186' ' ' VAL . 0.1 OUTLIER 173.43 39.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.017 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 185' ' ' TYR . . . . . 0.558 ' O ' ' CD1' ' A' ' 185' ' ' TYR . 1.5 t80 -42.3 -25.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.962 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 186' ' ' VAL . . . . . 0.427 ' N ' ' C ' ' A' ' 184' ' ' SER . 53.8 t -61.03 -59.98 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . 0.51 ' CG ' ' N ' ' A' ' 188' ' ' ASN . 0.0 OUTLIER -55.2 -43.1 74.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.307 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 188' ' ' ASN . . . . . 0.51 ' N ' ' CG ' ' A' ' 187' ' ' ARG . 0.7 OUTLIER -52.92 -47.16 68.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.12 -45.55 83.36 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.486 1.117 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 82.7 t -59.85 -44.35 94.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 3.0 mtt-85 -57.21 -45.65 83.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.329 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -55.09 -44.82 75.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 74.38 -63.76 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.356 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 194' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -74.71 146.64 42.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.6 ttm . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.525 0.203 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 22.2 p-10 -158.56 142.06 15.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 t 59.73 101.64 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.012 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -52.53 97.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.407 ' CG1' ' N ' ' A' ' 6' ' ' SER . 14.9 p -61.26 -53.82 43.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.407 ' N ' ' CG1' ' A' ' 5' ' ' VAL . 2.8 m 41.3 82.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.033 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 54.9 p30 176.76 -173.14 0.1 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -119.4 -82.88 0.8 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.4 m -119.64 -62.16 1.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 0.771 . . . . 0.0 109.972 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -98.32 -178.52 32.82 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.459 1.1 . . . . 0.0 110.966 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.75 80.66 8.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 0.789 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.72 48.22 0.34 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.466 1.103 . . . . 0.0 110.961 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.47 95.86 9.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 0.748 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.85 -36.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.458 ' CG ' ' N ' ' A' ' 16' ' ' ILE . 10.8 p-80 -55.32 -50.64 69.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 109.636 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.589 ' HB ' ' CE2' ' A' ' 183' ' ' PHE . 0.5 OUTLIER -57.45 -42.61 81.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.604 ' CG2' HG11 ' A' ' 175' ' ' VAL . 89.4 m -53.88 -58.27 7.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.416 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -47.76 -36.82 12.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.58 ' HG ' ' CD2' ' A' ' 84' ' ' HIS . 1.1 mm? -62.22 -32.47 73.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.646 ' CD2' ' CD2' ' A' ' 90' ' ' LEU . 1.5 tm? -63.47 -40.4 97.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.805 ' HB ' ' CG2' ' A' ' 175' ' ' VAL . 0.5 OUTLIER -62.01 -64.83 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.254 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.748 ' CD2' ' HA3' ' A' ' 39' ' ' GLY . 0.4 OUTLIER -63.03 -30.56 71.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 111.046 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -72.28 -40.19 55.97 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.522 1.139 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.97 ' CE2' ' HA ' ' A' ' 91' ' ' ALA . 1.4 t80 -55.05 -58.15 8.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 0.756 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.819 ' HB2' ' CZ ' ' A' ' 171' ' ' PHE . 5.6 tp -55.15 -43.56 74.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.431 ' N ' HD11 ' A' ' 35' ' ' LEU . 5.3 tm0? -58.89 -31.73 68.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.526 ' OG ' ' O ' ' A' ' 88' ' ' ARG . 1.5 t -47.02 -66.07 0.47 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.153 . . . . 0.0 109.962 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.38 -43.9 5.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.147 . . . . 0.0 109.935 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.571 ' N ' ' O ' ' A' ' 25' ' ' LEU . . . 94.65 85.07 1.65 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.476 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 3.4 t -66.84 -61.03 2.16 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.524 ' HB ' ' HB2' ' A' ' 34' ' ' GLU . 1.0 OUTLIER -144.1 123.77 13.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.428 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.7 ttt-85 -45.1 -52.58 8.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.281 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -64.03 -26.51 68.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.349 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.629 ' O ' ' N ' ' A' ' 38' ' ' LEU . 44.5 tt0 -68.63 -63.31 1.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.328 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.789 ' HA ' HD21 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -47.29 -36.69 9.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.537 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 5.3 tt0 -70.51 -55.07 9.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.598 HG11 ' HA ' ' A' ' 34' ' ' GLU . 3.4 p -66.2 -52.39 48.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 1.17 ' HB3' ' CD2' ' A' ' 171' ' ' PHE . 0.1 OUTLIER -65.86 -47.0 76.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.254 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.748 ' HA3' ' CD2' ' A' ' 22' ' ' PHE . . . -62.53 -53.13 43.92 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.537 ' CB ' ' O ' ' A' ' 36' ' ' GLU . 1.0 OUTLIER -55.83 104.78 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 0.749 . . . . 0.0 110.271 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.415 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 1.1 mm-40 -142.1 133.33 26.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -101.65 106.41 46.35 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.415 ' HD3' ' O ' ' A' ' 41' ' ' GLU . 18.3 Cg_endo -74.98 -179.95 5.48 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.476 1.777 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.523 ' O ' ' CB ' ' A' ' 45' ' ' GLN . 17.9 t -41.32 -53.78 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.523 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 12.7 tt0 158.25 109.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.117 . . . . 0.0 110.325 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 47' ' ' TYR . . . -108.74 72.62 0.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.438 ' C ' ' O ' ' A' ' 46' ' ' ALA . 44.1 t80 -33.76 105.08 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 0.0 111.056 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.433 ' CE3' ' O ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER 167.16 144.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 108.018 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.536 ' O ' ' CB ' ' A' ' 50' ' ' ALA . 0.7 OUTLIER -153.02 142.36 21.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 110.26 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.536 ' CB ' ' O ' ' A' ' 49' ' ' GLU . . . 160.93 -179.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.486 ' O ' ' C ' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -171.44 126.13 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.486 ' C ' ' O ' ' A' ' 51' ' ' ASP . 0.9 OUTLIER -34.17 144.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.41 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 2.9 pt-20 -148.15 157.35 43.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.41 ' CB ' ' O ' ' A' ' 53' ' ' GLU . 0.6 OUTLIER 161.93 173.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -166.02 -48.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.3 tp 73.12 156.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.2 140.01 11.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 110.296 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.7 t -153.53 158.79 41.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.397 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -156.76 171.3 20.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -135.1 -156.33 7.65 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.459 1.099 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 177.75 140.93 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 0.737 . . . . 0.0 110.008 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.46 166.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -169.55 169.01 9.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.47 -58.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.015 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.2 mtt-85 -129.26 170.56 13.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.578 1.174 . . . . 0.0 110.31 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.9 149.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.003 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.427 ' C ' ' CD1' ' A' ' 67' ' ' PHE . 10.0 p90 -95.32 167.57 11.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -125.69 167.29 15.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 61.66 135.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.319 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 147.72 79.85 0.03 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.472 1.107 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.479 ' O ' ' CG2' ' A' ' 72' ' ' ILE . 4.3 ptt180 -150.53 144.59 25.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 0.772 . . . . 0.0 110.277 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.479 ' CG2' ' O ' ' A' ' 71' ' ' ARG . 2.6 pp -156.31 147.98 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.62 121.13 45.18 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.317 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -63.18 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.535 1.808 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -180.0 123.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.4 m -160.56 99.01 1.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.987 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -109.82 111.19 22.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 110.267 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 43.7 p -135.5 104.58 5.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.013 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.18 151.69 26.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -79.89 53.71 1.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 110.29 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 175.58 143.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.327 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.7 mt -94.24 -36.61 7.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.4 mt -53.7 -50.38 51.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.58 ' CD2' ' HG ' ' A' ' 19' ' ' LEU . 46.5 m80 -61.25 -43.87 98.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.585 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.471 ' O ' ' CG ' ' A' ' 88' ' ' ARG . 0.3 OUTLIER -53.28 -48.77 68.03 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.452 HG21 ' N ' ' A' ' 87' ' ' ALA . 1.4 tp -62.41 -31.12 50.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.658 ' O ' ' HB2' ' A' ' 90' ' ' LEU . . . -54.9 -57.82 10.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.526 ' O ' ' OG ' ' A' ' 27' ' ' SER . 1.7 ptt85 -63.06 -39.26 94.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.252 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.558 ' O ' ' CG2' ' A' ' 93' ' ' ILE . 47.4 t-80 -50.98 -26.49 6.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.606 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.658 ' HB2' ' O ' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -52.44 -66.26 0.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 109.257 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.97 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . . . -50.81 -45.52 59.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.646 ' HG3' ' N ' ' A' ' 93' ' ' ILE . 0.1 OUTLIER -51.19 -35.43 36.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.646 ' N ' ' HG3' ' A' ' 92' ' ' GLN . 0.5 OUTLIER -70.09 -30.28 43.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.575 ' CA ' ' HG3' ' A' ' 153' ' ' MET . . . -57.83 -51.41 58.29 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.49 1.119 . . . . 0.0 110.973 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -63.17 -51.46 66.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 0.758 . . . . 0.0 109.256 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.427 ' O ' ' CB ' ' A' ' 99' ' ' HIS . 2.4 mt-10 -62.71 -42.72 99.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.264 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.598 ' HB2' ' O ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -51.99 -55.45 20.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.989 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 97' ' ' MET . 11.7 t0 -38.57 -30.65 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.466 ' N ' ' C ' ' A' ' 97' ' ' MET . 17.5 t-80 -55.03 -52.97 61.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.575 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 97' ' ' MET . 22.2 p-10 -149.65 88.73 1.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.569 ' CG2' ' O ' ' A' ' 101' ' ' ILE . 0.3 OUTLIER -134.8 92.33 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.239 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.876 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 0.0 OUTLIER 154.05 52.19 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.876 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.3 Cg_endo -75.03 34.5 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.51 1.795 . . . . 0.0 110.989 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.927 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 1.0 OUTLIER 149.08 2.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.381 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.927 ' HB2' ' O ' ' A' ' 104' ' ' THR . 0.1 OUTLIER 103.67 38.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.989 ' HA ' ' CZ ' ' A' ' 138' ' ' PHE . 1.3 t -61.52 -80.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.626 ' N ' ' CG1' ' A' ' 106' ' ' VAL . 9.4 ptt85 -52.59 -19.61 2.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.313 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.587 ' CB ' ' HG ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -66.35 -41.62 89.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.953 HD22 ' CZ ' ' A' ' 138' ' ' PHE . 0.2 OUTLIER -60.84 -61.18 2.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.152 . . . . 0.0 109.3 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 1.179 ' O ' ' CD2' ' A' ' 113' ' ' PHE . . . -48.77 -54.28 15.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.25 -17.13 57.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.244 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.839 ' CG ' ' O ' ' A' ' 109' ' ' LEU . 2.1 pt20 -60.45 -45.7 92.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 110.241 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 1.179 ' CD2' ' O ' ' A' ' 110' ' ' ALA . 2.8 p90 -63.27 -41.95 99.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.876 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 1.9 ttp -53.98 93.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.113 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -140.79 -57.39 0.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.248 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 176.98 86.13 0.06 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.468 1.105 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.508 ' O ' ' HB3' ' A' ' 118' ' ' LEU . 0.1 OUTLIER -155.67 45.73 0.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 0.753 . . . . 0.0 110.018 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.508 ' HB3' ' O ' ' A' ' 117' ' ' SER . 1.0 OUTLIER 179.49 93.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.282 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 120' ' ' GLU . 0.7 OUTLIER -108.02 149.21 28.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.009 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 119' ' ' SER . 0.2 OUTLIER 36.83 36.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.242 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.422 ' HG3' ' NH1' ' A' ' 168' ' ' ARG . 1.1 tm-20 66.83 72.97 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.529 ' HB3' ' CE ' ' A' ' 123' ' ' LYS . 24.2 t0 -94.44 -59.05 2.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.529 ' CE ' ' HB3' ' A' ' 122' ' ' ASP . 0.0 OUTLIER -162.7 153.23 16.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.103 . . . . 0.0 109.294 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.458 ' HD3' ' NE2' ' A' ' 172' ' ' HIS . 0.0 OUTLIER -107.69 30.92 5.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.561 ' O ' ' CB ' ' A' ' 129' ' ' LYS . 1.9 t-20 -61.89 -37.87 86.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.592 ' HB3' ' CD1' ' A' ' 113' ' ' PHE . 0.1 OUTLIER -51.97 -53.77 37.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 108.287 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.708 ' O ' ' HE1' ' A' ' 177' ' ' PHE . 0.1 OUTLIER -60.94 -69.71 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.415 ' O ' ' HG ' ' A' ' 131' ' ' LEU . . . -44.58 -32.84 1.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.561 ' CB ' ' O ' ' A' ' 125' ' ' ASN . 0.3 OUTLIER -61.93 -27.95 69.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.766 ' HB3' ' CD2' ' A' ' 113' ' ' PHE . . . -69.46 -49.46 54.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.746 ' N ' ' CZ ' ' A' ' 177' ' ' PHE . 0.4 OUTLIER -44.75 -43.43 8.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.563 ' O ' ' HB ' ' A' ' 136' ' ' THR . 0.1 OUTLIER -63.36 -53.47 52.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.592 ' CB ' HD12 ' A' ' 109' ' ' LEU . 7.2 mm-40 -56.95 -61.73 2.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 110.318 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.938 ' HA ' HD22 ' A' ' 109' ' ' LEU . 0.3 OUTLIER -53.1 -37.13 26.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.142 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . 0.561 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 0.1 OUTLIER -78.63 4.67 12.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' THR . . . . . 0.563 ' HB ' ' O ' ' A' ' 132' ' ' ASP . 0.6 OUTLIER -117.18 -20.44 9.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.406 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.707 ' C ' ' HD3' ' A' ' 139' ' ' PRO . . . -99.92 -52.48 3.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 0.989 ' CZ ' ' HA ' ' A' ' 106' ' ' VAL . 0.0 OUTLIER -116.26 60.79 2.04 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.707 ' HD3' ' C ' ' A' ' 137' ' ' ALA . 18.3 Cg_endo -75.02 149.86 37.24 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.498 1.788 . . . . 0.0 111.003 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . 0.787 ' N ' ' CB ' ' A' ' 144' ' ' ASN . 1.5 mtt85 164.51 -166.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 110.318 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . 0.666 ' O ' ' CG ' ' A' ' 145' ' ' ASP . 31.8 m-20 -87.22 -110.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' MET . . . . . 0.488 ' O ' ' HB2' ' A' ' 146' ' ' LYS . 0.3 OUTLIER -61.78 -31.97 72.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 111.011 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . 0.491 ' O ' ' HB1' ' A' ' 147' ' ' ALA . 0.8 OUTLIER -66.14 -61.27 2.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.268 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . 0.787 ' CB ' ' N ' ' A' ' 140' ' ' ARG . 1.9 t-20 -69.82 -56.89 5.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.697 ' HA ' ' CE2' ' A' ' 185' ' ' TYR . 26.4 m-20 -37.7 -57.81 0.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 142' ' ' MET . 0.0 OUTLIER -65.08 -28.38 69.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.627 ' N ' ' O ' ' A' ' 144' ' ' ASN . . . -60.44 -58.67 7.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.24 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' MET . . . . . 0.784 ' HG3' ' N ' ' A' ' 149' ' ' LEU . 0.1 OUTLIER -52.84 -43.55 66.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.784 ' N ' ' HG3' ' A' ' 148' ' ' MET . 3.8 mt -57.02 -40.82 77.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . 0.487 HG12 ' CD1' ' A' ' 93' ' ' ILE . 14.3 mt -56.71 -28.42 27.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' MET . . . . . 1.098 ' O ' ' HG ' ' A' ' 154' ' ' LEU . 3.7 mmm -62.47 -58.0 9.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' THR . . . . . 0.868 ' OG1' ' O ' ' A' ' 173' ' ' THR . 5.3 t -51.94 -41.45 62.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.398 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' MET . . . . . 0.584 ' SD ' ' C ' ' A' ' 153' ' ' MET . 6.3 tmm? -68.81 -28.25 66.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 111.018 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 1.098 ' HG ' ' O ' ' A' ' 151' ' ' MET . 2.2 pp -53.46 -55.58 24.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.729 ' O ' ' CG2' ' A' ' 159' ' ' VAL . 4.7 mp -50.5 -60.27 3.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . 0.464 ' O ' ' HB2' ' A' ' 161' ' ' SER . . . -56.31 -54.68 42.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.791 ' HA ' ' CB ' ' A' ' 161' ' ' SER . 1.0 OUTLIER -44.76 -43.94 8.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . 0.716 ' O ' ' N ' ' A' ' 163' ' ' ALA . 0.4 OUTLIER -79.08 -39.59 33.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . 1.09 ' O ' ' N ' ' A' ' 163' ' ' ALA . 19.6 t -71.5 -126.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . 0.607 ' H ' HG11 ' A' ' 159' ' ' VAL . . . -31.48 -55.97 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' SER . . . . . 0.791 ' CB ' ' HA ' ' A' ' 157' ' ' LYS . 0.6 OUTLIER -55.95 -11.44 1.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 110.009 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . 0.909 ' N ' ' O ' ' A' ' 159' ' ' VAL . 0.0 OUTLIER -152.83 -51.81 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.624 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 1.09 ' N ' ' O ' ' A' ' 159' ' ' VAL . . . -114.99 87.98 16.27 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.355 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' PRO . . . . . 0.466 ' HA ' ' HA ' ' A' ' 160' ' ' ALA . 18.3 Cg_endo -75.02 63.38 6.01 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.508 1.794 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 17.4 t -125.3 0.47 7.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.008 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . 0.598 ' O ' ' N ' ' A' ' 170' ' ' VAL . 3.8 mp -143.69 58.34 1.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . 0.876 ' O ' HD13 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -54.86 -51.88 64.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . 0.838 ' N ' HD23 ' A' ' 167' ' ' LEU . 0.4 OUTLIER -58.48 -50.28 74.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . 0.674 ' O ' ' OG1' ' A' ' 173' ' ' THR . 0.8 OUTLIER -66.47 -34.29 77.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 109.289 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 170' ' ' VAL . . . . . 0.598 ' N ' ' O ' ' A' ' 166' ' ' LEU . 1.0 OUTLIER -49.94 -68.51 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . 1.17 ' CD2' ' HB3' ' A' ' 38' ' ' LEU . 1.6 m-85 -59.87 -49.59 77.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 172' ' ' HIS . . . . . 0.458 ' NE2' ' HD3' ' A' ' 124' ' ' ARG . 42.1 t60 -50.4 -33.68 21.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.553 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 173' ' ' THR . . . . . 0.897 ' O ' ' HB3' ' A' ' 176' ' ' ASN . 89.0 m -66.18 -61.02 2.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.382 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 174' ' ' THR . . . . . 0.686 ' HA ' ' CG2' ' A' ' 152' ' ' THR . 17.0 p -47.57 -59.74 3.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.438 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 175' ' ' VAL . . . . . 0.805 ' CG2' ' HB ' ' A' ' 21' ' ' VAL . 3.0 t -76.74 12.6 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . 0.897 ' HB3' ' O ' ' A' ' 173' ' ' THR . 0.1 OUTLIER -80.22 -52.03 8.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . 0.746 ' CZ ' ' N ' ' A' ' 131' ' ' LEU . 1.8 m-30 -61.68 -52.61 63.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . 0.573 HG13 HG21 ' A' ' 17' ' ' THR . 0.0 OUTLIER -62.5 -43.01 97.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . 0.652 ' CB ' ' O ' ' A' ' 175' ' ' VAL . 1.3 t30 -54.98 -39.42 68.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 180' ' ' GLN . . . . . 0.462 ' O ' ' O ' ' A' ' 179' ' ' ASN . 20.4 tp60 -49.55 -103.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 110.317 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.449 ' N ' ' HG3' ' A' ' 180' ' ' GLN . 8.9 t30 -126.02 -4.04 6.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . 0.527 ' O ' ' N ' ' A' ' 184' ' ' SER . 0.2 OUTLIER -97.03 39.97 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 183' ' ' PHE . . . . . 0.589 ' CE2' ' HB ' ' A' ' 16' ' ' ILE . 0.7 OUTLIER -28.99 -39.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 0.0 111.008 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 184' ' ' SER . . . . . 0.527 ' N ' ' O ' ' A' ' 182' ' ' LEU . 23.1 t -170.95 108.14 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.031 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 185' ' ' TYR . . . . . 0.697 ' CE2' ' HA ' ' A' ' 145' ' ' ASP . 0.0 OUTLIER -80.58 -32.47 36.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.97 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 186' ' ' VAL . . . . . . . . . . . . . 15.5 m -56.99 -59.3 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . 0.577 ' CD ' ' N ' ' A' ' 188' ' ' ASN . 0.0 OUTLIER -60.5 -42.5 96.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 110.247 -179.919 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 188' ' ' ASN . . . . . 0.577 ' N ' ' CD ' ' A' ' 187' ' ' ARG . 23.4 t-20 -53.98 -45.34 71.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 45.0 tp -57.54 -47.66 81.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 92.8 t -55.7 -45.29 79.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.26 -47.31 78.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.28 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -55.22 -48.14 74.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.97 109.99 14.94 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 194' ' ' MET . . . . . 0.406 ' HG3' ' N ' ' A' ' 195' ' ' ASP . 9.8 ptt? -176.91 -38.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.951 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 195' ' ' ASP . . . . . 0.406 ' N ' ' HG3' ' A' ' 194' ' ' MET . 33.7 t70 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.439 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.491 0.186 . . . . 0.0 111.04 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 171.13 172.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 77.15 154.78 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 109.991 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -164.12 171.58 14.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.348 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.8 p -87.49 142.83 12.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 t -177.44 156.1 1.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 110.012 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.1 t30 72.46 164.84 0.29 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.253 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 153.61 72.72 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.111 . . . . 0.0 110.986 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.22 171.75 14.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 0.763 . . . . 0.0 110.003 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 151.61 76.49 0.02 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -74.42 153.56 39.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 0.766 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 135.18 154.92 7.19 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.542 1.151 . . . . 0.0 110.981 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.21 177.41 8.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 0.766 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.503 ' HB2' ' CD1' ' A' ' 183' ' ' PHE . 0.3 OUTLIER -152.78 141.0 20.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.423 ' C ' ' N ' ' A' ' 17' ' ' THR . 0.1 OUTLIER -56.57 -38.57 72.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 0.0 109.618 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.555 ' CD1' ' CE1' ' A' ' 84' ' ' HIS . 3.3 mm -53.13 -17.62 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.56 ' CG2' HG11 ' A' ' 175' ' ' VAL . 28.6 m -54.97 -62.67 1.51 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.4 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.42 -37.45 37.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 1.1 mm? -59.44 -32.52 70.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.648 ' CD2' ' CD2' ' A' ' 90' ' ' LEU . 1.2 tm? -63.55 -45.63 89.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.878 ' CG2' ' O ' ' A' ' 171' ' ' PHE . 0.4 OUTLIER -63.28 -61.38 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.78 ' CE1' HD23 ' A' ' 35' ' ' LEU . 6.2 t80 -58.07 -36.14 72.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 111.022 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -75.93 -34.08 48.78 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.504 1.127 . . . . 0.0 111.031 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 1.043 ' CE2' ' HA ' ' A' ' 91' ' ' ALA . 2.0 t80 -53.83 -58.47 7.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 0.782 . . . . 0.0 111.031 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.789 ' HB2' ' CZ ' ' A' ' 171' ' ' PHE . 0.4 OUTLIER -56.68 -44.05 81.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -53.75 -32.51 52.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.272 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.546 ' HB2' ' CG ' ' A' ' 88' ' ' ARG . 29.0 t -66.71 -96.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.983 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.2 t -140.86 17.56 2.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.987 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.537 ' HA3' ' CE1' ' A' ' 24' ' ' PHE . . . -55.25 -108.54 0.01 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.479 1.112 . . . . 0.0 111.049 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.41 ' HA ' ' OG ' ' A' ' 161' ' ' SER . 43.1 t -86.84 -89.69 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.226 -1.028 . . . . 0.0 108.226 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 34' ' ' GLU . 0.4 OUTLIER -144.42 149.13 35.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.425 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.619 ' O ' HD11 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -43.11 -58.74 2.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.306 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.432 ' O ' ' HB ' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -55.61 -25.58 39.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.648 ' C ' HD22 ' A' ' 25' ' ' LEU . 1.8 tp10 -65.7 -57.01 9.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.78 HD23 ' CE1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -42.78 -39.95 2.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.618 ' HA ' ' CE1' ' A' ' 22' ' ' PHE . 39.6 tt0 -80.65 -31.42 36.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.234 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.647 ' CG1' ' N ' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -65.68 -59.32 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 1.001 ' HB2' ' CD2' ' A' ' 171' ' ' PHE . 37.6 mt -62.9 -46.08 89.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.09 . . . . 0.0 109.253 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.712 ' HA3' ' CE1' ' A' ' 22' ' ' PHE . . . -48.12 -42.33 23.76 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.489 1.118 . . . . 0.0 110.956 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 175.6 128.37 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 0.777 . . . . 0.0 110.341 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.39 124.19 17.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -99.96 125.3 40.59 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.261 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 178.39 7.34 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.491 1.785 . . . . 0.0 111.008 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.438 ' O ' ' HB3' ' A' ' 45' ' ' GLN . 38.7 t -42.42 101.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.438 ' HB3' ' O ' ' A' ' 44' ' ' VAL . 0.0 OUTLIER 177.57 42.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 47' ' ' TYR . . . -160.1 122.38 3.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.615 ' O ' ' CB ' ' A' ' 48' ' ' TRP . 22.6 t80 -32.34 116.8 0.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 111.017 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.615 ' CB ' ' O ' ' A' ' 47' ' ' TYR . 3.6 t-105 152.2 167.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.541 ' N ' ' CG ' ' A' ' 48' ' ' TRP . 5.4 pm0 -157.33 122.93 4.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 110.282 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -38.94 149.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.436 ' OD1' ' CH2' ' A' ' 48' ' ' TRP . 5.7 p-10 -170.58 140.48 1.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER 178.82 155.44 0.44 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 75.41 145.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -164.72 167.85 18.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 109.278 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -93.51 -52.82 4.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.317 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.4 tt -162.47 -60.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.5 158.47 21.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.453 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -153.62 -51.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.395 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.453 ' CB ' ' O ' ' A' ' 58' ' ' THR . 0.4 OUTLIER 78.23 -57.2 0.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.269 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -162.9 -46.85 0.02 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.6 m -53.48 -179.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 0.786 . . . . 0.0 109.985 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? 61.58 126.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.083 . . . . 0.0 110.279 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -150.97 -58.44 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.34 -168.93 0.16 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.113 . . . . 0.0 109.974 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.536 ' O ' ' CB ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -97.33 179.8 4.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.536 ' CB ' ' O ' ' A' ' 65' ' ' ARG . 0.5 OUTLIER 155.96 150.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.986 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -139.14 50.06 1.82 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -105.43 175.74 5.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -153.11 -174.6 5.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -135.33 164.67 24.83 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.449 1.093 . . . . 0.0 110.967 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -147.66 98.71 3.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 0.795 . . . . 0.0 110.29 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 10.7 pt -110.45 -35.64 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -141.83 94.07 7.37 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.283 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 56.01 4.12 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.537 1.809 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.509 ' O ' ' CB ' ' A' ' 76' ' ' SER . 0.4 OUTLIER 47.88 -172.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 75' ' ' ASP . 1.2 m 158.9 166.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.974 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.459 ' O ' ' CB ' ' A' ' 78' ' ' SER . 0.0 OUTLIER 81.1 -65.65 0.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 110.255 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 77' ' ' GLU . 0.3 OUTLIER 82.7 31.42 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.005 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.501 ' O ' ' CB ' ' A' ' 80' ' ' GLU . 1.3 tp-100 83.2 -73.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.249 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.501 ' CB ' ' O ' ' A' ' 79' ' ' GLN . 0.1 OUTLIER 160.5 98.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 177.84 163.76 0.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 8.7 mt -98.7 -28.0 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.485 ' CG2' HG23 ' A' ' 16' ' ' ILE . 32.3 mm -54.12 -57.87 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.555 ' CE1' ' CD1' ' A' ' 16' ' ' ILE . 89.5 m-70 -54.88 -37.69 66.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.604 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -53.31 -45.39 68.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.436 HG21 ' N ' ' A' ' 87' ' ' ALA . 1.3 tp -61.41 -42.61 94.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.249 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.54 ' O ' ' HB2' ' A' ' 90' ' ' LEU . . . -54.17 -42.34 69.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.546 ' CG ' ' HB2' ' A' ' 27' ' ' SER . 20.4 ttt180 -64.84 -54.12 35.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.436 ' CE1' HD13 ' A' ' 93' ' ' ILE . 17.6 t60 -57.92 -15.31 8.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.561 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.648 ' CD2' ' CD2' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -61.67 -67.7 0.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 1.043 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . . . -52.37 -48.94 65.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -50.47 -35.94 31.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.239 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.564 ' CG2' ' O ' ' A' ' 90' ' ' LEU . 0.1 OUTLIER -68.93 -29.73 44.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.507 ' N ' HG21 ' A' ' 93' ' ' ILE . . . -59.58 -55.39 30.82 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.463 1.102 . . . . 0.0 111.027 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.46 ' HA ' ' CE ' ' A' ' 157' ' ' LYS . 63.3 t0 -60.92 -43.19 98.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 0.752 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -39.06 92.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.632 ' CG ' ' N ' ' A' ' 98' ' ' ASP . 0.1 OUTLIER -51.02 -50.72 58.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.958 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.632 ' N ' ' CG ' ' A' ' 97' ' ' MET . 0.4 OUTLIER -38.23 -29.72 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.489 ' N ' ' O ' ' A' ' 97' ' ' MET . 66.2 t60 -42.83 -69.26 0.14 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.583 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -148.96 90.37 1.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.544 ' O ' ' CB ' ' A' ' 102' ' ' GLN . 7.3 mm -131.64 89.93 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.577 1.173 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.774 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 0.0 OUTLIER 157.34 54.96 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.285 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.774 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.3 Cg_endo -75.03 -19.73 17.48 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.499 1.789 . . . . 0.0 111.015 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.704 ' O ' ' CB ' ' A' ' 105' ' ' LEU . 8.8 t -147.32 6.85 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 110.349 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.704 ' CB ' ' O ' ' A' ' 104' ' ' THR . 12.1 tp 106.55 29.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.683 ' CG2' ' CD2' ' A' ' 138' ' ' PHE . 1.0 OUTLIER -59.14 -72.14 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.543 ' HB3' ' CG2' ' A' ' 101' ' ' ILE . 0.0 OUTLIER -52.73 -37.31 59.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 110.316 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.55 ' CB ' ' CD1' ' A' ' 105' ' ' LEU . 4.0 mm-40 -64.53 -27.22 68.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.318 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.983 ' O ' ' CD ' ' A' ' 112' ' ' GLN . 0.7 OUTLIER -64.24 -73.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 1.007 ' O ' ' CD2' ' A' ' 113' ' ' PHE . . . -54.78 -39.33 68.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 107' ' ' ARG . . . -63.37 -22.06 66.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.983 ' CD ' ' O ' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -57.32 -50.25 73.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 110.265 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 1.007 ' CD2' ' O ' ' A' ' 110' ' ' ALA . 1.8 p90 -66.53 -42.75 86.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.157 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.778 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 8.9 tmm? -60.47 62.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.624 ' N ' ' O ' ' A' ' 113' ' ' PHE . 12.6 t30 -143.09 153.85 43.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 83.61 -163.15 40.27 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.472 1.107 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.481 ' O ' ' C ' ' A' ' 118' ' ' LEU . 5.6 m -158.56 76.08 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.777 . . . . 0.0 110.0 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.49 ' CD1' ' HG3' ' A' ' 123' ' ' LYS . 1.5 mp -34.13 -68.83 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.606 ' C ' ' H ' ' A' ' 121' ' ' GLU . 0.6 OUTLIER -145.28 63.38 1.28 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 110.048 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.587 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 8.0 pt-20 49.68 6.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.336 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.606 ' H ' ' C ' ' A' ' 119' ' ' SER . 14.6 tt0 153.57 88.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.276 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -160.24 25.92 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.49 ' HG3' ' CD1' ' A' ' 118' ' ' LEU . 0.1 OUTLIER -70.97 -112.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.52 ' HA ' ' CD1' ' A' ' 127' ' ' LEU . 0.0 OUTLIER 72.77 -56.55 0.65 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 110.277 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.413 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 3.8 t-20 -68.26 -39.42 82.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.448 ' CB ' ' CD1' ' A' ' 113' ' ' PHE . 3.1 m -54.74 -57.01 13.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 108.309 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.882 ' HA ' ' CZ ' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -53.37 -65.18 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.338 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.456 ' CA ' ' OD1' ' A' ' 176' ' ' ASN . . . -46.13 -39.32 9.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.526 ' O ' ' CD ' ' A' ' 133' ' ' GLU . 7.3 mttt -65.38 -23.71 67.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.347 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.93 ' HB1' ' CD2' ' A' ' 113' ' ' PHE . . . -71.22 -38.83 71.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.347 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.772 ' O ' ' HB3' ' A' ' 135' ' ' LYS . 0.0 OUTLIER -55.59 -41.97 74.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.517 ' O ' ' CB ' ' A' ' 136' ' ' THR . 1.5 m-20 -61.67 -61.73 2.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.663 ' CG ' ' HA ' ' A' ' 130' ' ' ALA . 0.5 OUTLIER -52.8 -60.37 3.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.27 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.69 HG21 ' CE2' ' A' ' 138' ' ' PHE . 11.5 p -55.04 -42.52 65.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . 0.772 ' HB3' ' O ' ' A' ' 131' ' ' LEU . 0.2 OUTLIER -87.29 25.14 1.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' THR . . . . . 0.517 ' CB ' ' O ' ' A' ' 132' ' ' ASP . 1.9 t -160.78 24.71 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.386 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.537 ' C ' ' HD3' ' A' ' 139' ' ' PRO . . . -134.09 -56.0 0.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 0.7 ' N ' ' HD3' ' A' ' 139' ' ' PRO . 2.1 p90 -130.63 47.19 2.67 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.981 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.7 ' HD3' ' N ' ' A' ' 138' ' ' PHE . 18.2 Cg_endo -75.02 170.05 21.28 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.533 1.807 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . 0.781 ' HB2' ' CG ' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 175.6 -97.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.304 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . 0.584 ' O ' ' N ' ' A' ' 145' ' ' ASP . 1.1 m-20 -135.75 -145.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' MET . . . . . 0.646 ' O ' ' CB ' ' A' ' 146' ' ' LYS . 1.7 tmt? -51.71 -31.47 26.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 111.035 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -67.91 -62.95 1.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . 0.781 ' CG ' ' HB2' ' A' ' 140' ' ' ARG . 1.0 OUTLIER -73.96 -57.7 3.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.274 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.631 ' CG ' ' CE1' ' A' ' 185' ' ' TYR . 9.4 t0 -40.24 -54.83 2.29 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.646 ' CB ' ' O ' ' A' ' 142' ' ' MET . 0.6 OUTLIER -53.89 -28.87 39.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.66 ' CB ' ' O ' ' A' ' 144' ' ' ASN . . . -53.27 -52.24 59.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' MET . . . . . 0.646 ' HG2' ' HB2' ' A' ' 135' ' ' LYS . 1.4 mtp -53.37 -54.19 40.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.538 ' O ' ' SD ' ' A' ' 153' ' ' MET . 3.5 tp -57.99 -45.07 87.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . 0.519 HG13 ' SD ' ' A' ' 97' ' ' MET . 0.7 OUTLIER -54.6 -29.07 20.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' MET . . . . . 0.841 ' O ' HD23 ' A' ' 155' ' ' LEU . 1.9 mmt -58.51 -52.62 64.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 111.049 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' THR . . . . . 0.929 ' O ' HD21 ' A' ' 155' ' ' LEU . 0.5 OUTLIER -46.1 -47.2 17.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.394 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' MET . . . . . 0.611 ' O ' ' CB ' ' A' ' 157' ' ' LYS . 1.8 mpt? -71.13 -20.42 62.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.849 ' CD1' HD11 ' A' ' 155' ' ' LEU . 0.5 OUTLIER -61.57 -52.72 63.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.362 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.929 HD21 ' O ' ' A' ' 152' ' ' THR . 0.0 OUTLIER -54.04 -55.47 27.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . 1.057 ' O ' ' O ' ' A' ' 159' ' ' VAL . . . -64.17 -52.74 57.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.611 ' CB ' ' O ' ' A' ' 153' ' ' MET . 39.3 tptt -45.43 -50.85 12.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . 0.894 ' O ' ' N ' ' A' ' 163' ' ' ALA . 51.6 mmtt -77.49 -52.21 9.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . 1.057 ' O ' ' O ' ' A' ' 156' ' ' ALA . 23.0 t -91.19 152.06 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . 0.655 ' CB ' ' CG1' ' A' ' 170' ' ' VAL . . . 69.08 -49.46 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' SER . . . . . 0.471 ' H ' ' C ' ' A' ' 159' ' ' VAL . 0.1 OUTLIER -91.35 -9.38 45.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.043 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . 0.578 ' CB ' ' O ' ' A' ' 158' ' ' LYS . 0.5 OUTLIER -152.62 -36.83 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.57 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 0.894 ' N ' ' O ' ' A' ' 158' ' ' LYS . . . -117.13 96.86 49.95 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 55.81 4.03 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.494 1.786 . . . . 0.0 111.026 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' SER . . . . . 0.41 ' OG ' HD11 ' A' ' 166' ' ' LEU . 7.3 p -109.42 -14.48 14.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.96 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . 0.442 ' CD1' HG13 ' A' ' 159' ' ' VAL . 3.5 mp -143.43 132.93 23.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . 0.579 ' CD2' HD22 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -100.36 -91.22 0.31 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . 0.427 ' H ' ' HB3' ' A' ' 167' ' ' LEU . 18.6 ptt180 -56.63 -34.84 67.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.281 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.91 -45.78 93.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 170' ' ' VAL . . . . . 0.883 HG11 ' N ' ' A' ' 171' ' ' PHE . 0.4 OUTLIER -56.25 -49.54 75.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . 1.141 ' O ' HG21 ' A' ' 174' ' ' THR . 0.0 OUTLIER -62.2 -54.53 39.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 0.0 111.025 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 172' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -57.17 -22.62 41.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.656 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 173' ' ' THR . . . . . 0.831 ' O ' ' HB3' ' A' ' 176' ' ' ASN . 4.5 m -66.31 -49.13 68.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.46 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 174' ' ' THR . . . . . 1.141 HG21 ' O ' ' A' ' 171' ' ' PHE . 0.6 OUTLIER -60.55 -52.07 66.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.392 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 175' ' ' VAL . . . . . 0.868 ' CG2' ' HB ' ' A' ' 21' ' ' VAL . 1.1 t -72.63 1.1 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . 0.831 ' HB3' ' O ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -78.03 -59.08 2.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . 0.788 ' CZ ' ' HB2' ' A' ' 151' ' ' MET . 1.0 OUTLIER -53.93 -56.71 15.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 111.012 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . 0.588 ' CD1' ' N ' ' A' ' 179' ' ' ASN . 0.0 OUTLIER -55.92 -38.87 54.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . 0.588 ' N ' ' CD1' ' A' ' 178' ' ' ILE . 7.1 t30 -67.12 -40.36 86.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -82.91 -10.43 58.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.31 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.517 ' N ' ' O ' ' A' ' 177' ' ' PHE . 5.1 t-20 -95.84 -152.18 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . 0.606 ' O ' ' N ' ' A' ' 184' ' ' SER . 0.0 OUTLIER -92.0 36.55 0.97 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.137 . . . . 0.0 109.296 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 183' ' ' PHE . . . . . 0.808 ' O ' ' CG ' ' A' ' 183' ' ' PHE . 5.8 t80 32.4 30.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 184' ' ' SER . . . . . 0.606 ' CB ' ' O ' ' A' ' 183' ' ' PHE . 1.1 m 150.91 90.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.995 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 185' ' ' TYR . . . . . 0.642 ' OH ' ' N ' ' A' ' 142' ' ' MET . 8.2 t80 -41.48 155.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.58 1.175 . . . . 0.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 186' ' ' VAL . . . . . 0.55 HG21 ' CZ ' ' A' ' 185' ' ' TYR . 3.3 m -38.84 -35.07 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . 0.587 ' HB2' ' CE2' ' A' ' 185' ' ' TYR . 10.5 ttt85 -58.84 -52.56 65.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.352 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 188' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 185' ' ' TYR . 3.3 m-80 -55.4 -43.79 75.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.98 -45.13 67.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 65.7 t -57.31 -47.66 84.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.88 -44.14 77.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.263 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 19.6 t30 -55.36 -49.78 71.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 59.52 -171.18 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.33 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 194' ' ' MET . . . . . . . . . . . . . 6.5 ptm -157.62 146.85 19.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.473 0.178 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -160.19 160.15 32.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 169.67 158.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.995 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.483 ' O ' ' CG2' ' A' ' 5' ' ' VAL . 0.0 OUTLIER 179.84 -66.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.315 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.483 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 16.2 m 47.59 -169.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.9 p -172.95 -175.15 1.18 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 109.988 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -173.53 160.2 3.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -119.37 -158.98 10.84 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.439 1.087 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.83 -80.96 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 0.0 109.957 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.85 172.21 18.48 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.536 1.147 . . . . 0.0 111.022 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -147.91 -172.16 3.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 0.755 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.485 ' O ' ' CB ' ' A' ' 13' ' ' ALA . . . 130.88 177.91 15.15 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.485 ' CB ' ' O ' ' A' ' 12' ' ' GLY . . . 164.72 159.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.52 134.49 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 28.7 p-80 -59.73 -45.21 92.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.573 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.517 ' CD1' ' CE1' ' A' ' 84' ' ' HIS . 2.8 mm -55.0 -40.59 54.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.597 HG22 ' CG2' ' A' ' 178' ' ' ILE . 6.7 m -54.2 -61.16 2.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 110.388 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -46.05 -35.75 5.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.3 OUTLIER -61.94 -33.22 73.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.609 ' CD2' ' CD2' ' A' ' 90' ' ' LEU . 0.4 OUTLIER -64.8 -42.6 94.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 109.269 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.823 ' HB ' ' CG2' ' A' ' 175' ' ' VAL . 0.5 OUTLIER -62.3 -65.19 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.86 ' CD2' ' HA3' ' A' ' 39' ' ' GLY . 2.7 t80 -62.56 -33.52 75.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -72.67 -37.29 57.82 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.542 1.151 . . . . 0.0 111.025 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 1.043 ' CE2' ' HA ' ' A' ' 91' ' ' ALA . 3.1 t80 -53.36 -57.45 10.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 0.77 . . . . 0.0 110.96 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.864 ' HB2' ' CZ ' ' A' ' 171' ' ' PHE . 0.2 OUTLIER -57.91 -39.81 78.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.531 ' CG ' HD12 ' A' ' 35' ' ' LEU . 4.9 tt0 -55.31 -35.09 64.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.345 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.577 ' CB ' ' O ' ' A' ' 88' ' ' ARG . 1.9 t -66.2 -97.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 110.05 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.48 ' N ' ' OG ' ' A' ' 27' ' ' SER . 0.2 OUTLIER -139.46 19.98 2.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.495 ' HA3' ' CE1' ' A' ' 24' ' ' PHE . . . -55.68 -107.81 0.01 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.469 ' SG ' ' CD ' ' A' ' 34' ' ' GLU . 49.1 t -89.32 -93.52 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 34' ' ' GLU . 5.3 p -144.63 152.38 40.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.37 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.554 ' O ' ' CD2' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -42.0 -61.42 1.14 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.256 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.492 ' O ' ' HB ' ' A' ' 37' ' ' VAL . 2.6 tt0 -51.69 -25.81 8.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.138 . . . . 0.0 110.257 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.534 ' HG3' ' CD2' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -68.09 -54.52 17.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.801 ' HG ' ' CE1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -42.96 -39.85 2.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.517 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 0.4 OUTLIER -82.82 -32.88 27.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.794 HG11 HD11 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -62.22 -57.71 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 1.081 ' CD2' ' HB2' ' A' ' 167' ' ' LEU . 0.3 OUTLIER -79.28 -38.74 34.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.86 ' HA3' ' CD2' ' A' ' 22' ' ' PHE . . . -47.45 -50.6 17.84 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.457 1.098 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.48 ' O ' ' O ' ' A' ' 36' ' ' GLU . 1.5 ttp180 174.1 -150.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 0.756 . . . . 0.0 110.3 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -136.22 97.93 3.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.331 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -98.94 135.53 20.87 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 161.12 39.32 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.46 1.768 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.47 ' O ' ' CB ' ' A' ' 45' ' ' GLN . 37.5 t -40.98 109.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.47 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 2.9 mt-30 163.17 162.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 47' ' ' TYR . . . -127.05 67.5 1.27 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.443 ' C ' ' O ' ' A' ' 46' ' ' ALA . 11.5 t80 -33.66 -64.27 0.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 79.5 168.47 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 108.022 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.52 ' O ' ' CB ' ' A' ' 50' ' ' ALA . 9.1 tp10 -134.36 -57.43 0.85 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 49' ' ' GLU . . . 161.86 179.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.402 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 22.5 t70 -170.73 141.32 1.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER 179.2 154.09 0.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 70.51 133.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.323 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -159.38 162.79 35.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -112.02 169.43 8.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -157.12 -62.65 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 39.43 46.27 1.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -109.38 147.4 32.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.388 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -177.39 -75.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.112 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' A' ' 62' ' ' GLN . . . 47.36 65.16 2.46 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.2 t 68.56 -66.94 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 0.763 . . . . 0.0 109.996 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 60' ' ' GLY . 3.7 pt20 -149.32 162.49 39.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.259 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.07 -72.26 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 51.81 176.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.048 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.0 mmm-85 -107.43 -76.32 0.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.2 t 49.99 96.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.982 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -87.89 -65.46 1.01 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 42.45 68.97 0.42 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.331 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.76 171.75 11.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 110.25 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -140.3 -48.49 0.05 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.453 1.096 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.14 80.68 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 0.767 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.5 pt -116.31 164.44 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -86.8 148.13 45.08 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -170.74 0.82 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.527 1.804 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -136.35 166.78 22.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 78.2 p -126.93 165.47 19.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.996 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -95.4 -57.75 2.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.275 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.34 -164.25 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.969 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.493 ' O ' ' CG ' ' A' ' 80' ' ' GLU . 5.2 mm-40 63.38 135.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.315 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 79' ' ' GLN . 0.4 OUTLIER 162.96 -76.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 110.277 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.425 ' O ' ' HB2' ' A' ' 85' ' ' ASN . 1.6 mp0 -89.3 -172.15 3.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 37.0 mm -103.24 -100.89 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.496 HG22 ' CD1' ' A' ' 16' ' ' ILE . 0.2 OUTLIER -52.58 -39.11 28.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.517 ' CE1' ' CD1' ' A' ' 16' ' ' ILE . 71.1 m80 -61.46 -39.58 91.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 0.0 109.568 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' A' ' 81' ' ' GLU . 52.3 t30 -57.05 -51.61 68.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.477 ' CG1' ' O ' ' A' ' 83' ' ' ILE . 3.8 pt -61.45 -25.57 37.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.531 ' O ' ' HB2' ' A' ' 90' ' ' LEU . . . -61.51 -62.16 2.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.577 ' O ' ' CB ' ' A' ' 27' ' ' SER . 0.3 OUTLIER -63.69 -45.57 89.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.289 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.55 ' N ' ' CG ' ' A' ' 88' ' ' ARG . 23.3 t-80 -54.98 -23.16 17.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.568 1.167 . . . . 0.0 109.61 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.609 ' CD2' ' CD2' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -56.26 -63.42 1.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 1.043 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . . . -52.72 -48.73 66.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -49.49 -46.87 48.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.361 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.533 ' CG2' ' O ' ' A' ' 89' ' ' HIS . 1.1 pt -68.03 -24.68 30.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.461 ' O ' ' HG3' ' A' ' 157' ' ' LYS . . . -61.52 -54.5 35.35 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.555 1.159 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -61.57 -45.94 92.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 0.731 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.82 -40.84 98.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.085 . . . . 0.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.46 ' O ' ' N ' ' A' ' 99' ' ' HIS . 0.3 OUTLIER -51.74 -46.63 64.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 110.963 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 97' ' ' MET . 43.4 t0 -38.79 -30.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.46 ' N ' ' O ' ' A' ' 97' ' ' MET . 50.3 m170 -44.2 -47.59 9.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.627 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -144.77 85.83 1.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.604 ' O ' ' CB ' ' A' ' 102' ' ' GLN . 0.3 OUTLIER -114.7 82.83 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.875 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 3.0 tt0 152.35 52.95 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.875 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.4 Cg_endo -75.02 11.51 1.43 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.511 1.795 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.834 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 0.9 OUTLIER 167.04 1.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.371 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.834 ' HB2' ' O ' ' A' ' 104' ' ' THR . 0.1 OUTLIER 106.01 29.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 1.034 ' HA ' ' CZ ' ' A' ' 138' ' ' PHE . 1.0 OUTLIER -61.35 -74.67 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.277 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.647 ' N ' ' CG1' ' A' ' 106' ' ' VAL . 0.0 OUTLIER -55.65 -17.12 5.05 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 110.337 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.57 ' CG ' ' NH2' ' A' ' 107' ' ' ARG . 0.8 OUTLIER -61.68 -48.13 82.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 110.318 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.903 HD22 ' HA ' ' A' ' 134' ' ' VAL . 0.5 OUTLIER -64.09 -61.63 2.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.946 ' HA ' ' HB3' ' A' ' 130' ' ' ALA . . . -49.97 -35.88 26.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 107' ' ' ARG . . . -69.29 -24.36 63.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.748 ' CG ' ' O ' ' A' ' 109' ' ' LEU . 4.4 pt20 -56.47 -50.97 70.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.275 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.927 ' CD2' ' O ' ' A' ' 110' ' ' ALA . 1.5 p90 -67.77 -39.65 84.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.751 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 5.5 ttp -51.35 78.33 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 111.022 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.628 ' N ' ' O ' ' A' ' 113' ' ' PHE . 5.3 t-20 -143.98 -157.36 0.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 115' ' ' ASN . . . 38.09 -158.44 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.539 1.149 . . . . 0.0 111.013 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.519 ' O ' ' HB3' ' A' ' 118' ' ' LEU . 11.1 p -157.07 80.5 0.92 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 0.789 . . . . 0.0 109.955 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.519 ' HB3' ' O ' ' A' ' 117' ' ' SER . 0.0 OUTLIER 78.49 102.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.72 156.31 18.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.957 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 48.39 24.47 0.73 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.13 . . . . 0.0 110.293 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.505 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 1.6 tt0 69.04 58.11 0.37 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 121' ' ' GLU . 0.7 OUTLIER 155.95 -177.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.652 ' NZ ' ' H ' ' A' ' 126' ' ' CYS . 0.1 OUTLIER -147.42 129.19 15.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.649 ' HA ' ' CD2' ' A' ' 127' ' ' LEU . 4.2 ttp-105 177.25 -42.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.53 ' O ' ' N ' ' A' ' 129' ' ' LYS . 24.3 t30 -67.51 -43.19 81.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.652 ' H ' ' NZ ' ' A' ' 123' ' ' LYS . 2.0 m -52.48 -58.93 5.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 108.348 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.744 ' O ' ' HE1' ' A' ' 177' ' ' PHE . 0.0 OUTLIER -59.22 -62.34 1.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.422 ' O ' HD11 ' A' ' 131' ' ' LEU . . . -48.5 -30.93 5.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.567 ' HB3' ' O ' ' A' ' 126' ' ' CYS . 3.6 tttt -60.77 -29.37 69.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.946 ' HB3' ' HA ' ' A' ' 110' ' ' ALA . . . -73.5 -40.78 63.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.665 ' O ' ' HB2' ' A' ' 135' ' ' LYS . 0.0 OUTLIER -46.8 -47.98 20.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.705 ' O ' ' HB ' ' A' ' 136' ' ' THR . 0.2 OUTLIER -62.06 -54.89 35.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.61 ' C ' HD23 ' A' ' 109' ' ' LEU . 0.5 OUTLIER -51.57 -61.98 1.91 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.903 ' HA ' HD22 ' A' ' 109' ' ' LEU . 1.4 p -57.59 -37.03 56.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . 0.68 ' NZ ' ' H ' ' A' ' 148' ' ' MET . 1.1 mmpt? -82.67 20.04 1.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' THR . . . . . 0.705 ' HB ' ' O ' ' A' ' 132' ' ' ASP . 0.6 OUTLIER -136.94 -10.06 1.78 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.38 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.693 ' C ' ' HD3' ' A' ' 139' ' ' PRO . . . -111.93 -50.18 2.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 1.034 ' CZ ' ' HA ' ' A' ' 106' ' ' VAL . 0.0 OUTLIER -117.16 61.53 2.88 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 110.98 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.693 ' HD3' ' C ' ' A' ' 137' ' ' ALA . 18.4 Cg_endo -74.96 145.69 31.9 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.447 1.762 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . 0.802 ' N ' ' CB ' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 176.44 -161.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.364 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . 0.685 ' O ' ' HB2' ' A' ' 145' ' ' ASP . 1.0 OUTLIER -93.85 -105.89 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.082 . . . . 0.0 109.29 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' MET . . . . . 0.537 ' HA ' ' CZ ' ' A' ' 185' ' ' TYR . 7.7 tmm? -67.52 -34.87 77.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -65.49 -58.72 5.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 110.323 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . 0.802 ' CB ' ' N ' ' A' ' 140' ' ' ARG . 1.7 t30 -66.53 -60.5 2.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.685 ' HB2' ' O ' ' A' ' 141' ' ' ASP . 31.9 m-20 -40.44 -52.04 2.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.55 ' O ' ' HG ' ' A' ' 149' ' ' LEU . 6.0 ttmt -66.58 -26.19 66.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.77 ' HB1' ' O ' ' A' ' 144' ' ' ASN . . . -63.53 -54.77 30.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' MET . . . . . 0.728 ' HG3' ' N ' ' A' ' 149' ' ' LEU . 0.9 OUTLIER -55.49 -53.57 54.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 111.029 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.728 ' N ' ' HG3' ' A' ' 148' ' ' MET . 0.5 OUTLIER -55.24 -40.52 70.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . 0.519 ' O ' ' CG ' ' A' ' 153' ' ' MET . 1.4 mt -55.63 -30.2 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 109.287 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' MET . . . . . 1.096 ' O ' ' CD2' ' A' ' 155' ' ' LEU . 6.1 mmm -62.79 -56.96 12.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' THR . . . . . 0.811 ' HB ' ' HA ' ' A' ' 174' ' ' THR . 50.6 p -44.3 -52.1 7.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.372 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' MET . . . . . 0.519 ' CG ' ' O ' ' A' ' 150' ' ' ILE . 10.0 ptp -67.46 -24.95 65.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 111.034 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.703 ' C ' ' CD2' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -60.39 -51.62 68.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 1.096 ' CD2' ' O ' ' A' ' 151' ' ' MET . 0.0 OUTLIER -52.02 -46.45 65.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . 1.112 ' O ' ' O ' ' A' ' 159' ' ' VAL . . . -66.09 -54.09 29.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.552 ' O ' ' HB2' ' A' ' 162' ' ' HIS . 0.0 OUTLIER -43.43 -46.02 6.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.269 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . 0.584 ' O ' ' N ' ' A' ' 163' ' ' ALA . 7.1 mmmt -77.09 -52.91 8.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . 1.112 ' O ' ' O ' ' A' ' 156' ' ' ALA . 25.4 t -99.17 160.14 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . 0.553 ' HB1' ' CB ' ' A' ' 170' ' ' VAL . . . 63.79 -53.23 0.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' SER . . . . . 0.631 ' N ' ' O ' ' A' ' 159' ' ' VAL . 0.2 OUTLIER -86.96 -11.51 50.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.003 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . 0.566 ' HB2' ' O ' ' A' ' 158' ' ' LYS . 3.6 m-70 -147.3 -34.79 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.595 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 0.635 ' CB ' ' HA ' ' A' ' 159' ' ' VAL . . . -118.43 92.56 43.71 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 91.04 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.508 1.794 . . . . 0.0 110.972 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.66 -62.56 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.999 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 6.5 tp -122.06 62.2 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . 1.081 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -47.11 -61.6 1.81 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . 0.737 ' H ' HD11 ' A' ' 167' ' ' LEU . 0.5 OUTLIER -40.19 -45.82 2.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.264 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . 0.589 ' O ' ' OG1' ' A' ' 173' ' ' THR . 0.0 OUTLIER -63.95 -40.76 97.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 170' ' ' VAL . . . . . 0.645 ' CG2' ' HA ' ' A' ' 156' ' ' ALA . 1.1 t -62.86 -61.55 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . 0.864 ' CZ ' ' HB2' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -45.25 -49.54 12.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 172' ' ' HIS . . . . . 0.617 ' CD2' ' O ' ' A' ' 123' ' ' LYS . 0.8 OUTLIER -58.5 -31.42 67.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.636 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 173' ' ' THR . . . . . 1.021 ' CG2' ' HG ' ' A' ' 155' ' ' LEU . 1.5 m -52.77 -49.06 66.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.414 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 174' ' ' THR . . . . . 0.811 ' HA ' ' HB ' ' A' ' 152' ' ' THR . 32.7 p -59.02 -63.71 1.21 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.395 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 175' ' ' VAL . . . . . 0.823 ' CG2' ' HB ' ' A' ' 21' ' ' VAL . 7.3 t -72.48 8.26 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . 0.746 ' HB3' ' O ' ' A' ' 173' ' ' THR . 0.1 OUTLIER -73.15 -57.23 4.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.356 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . 0.794 ' CD2' ' CG2' ' A' ' 152' ' ' THR . 7.0 m-30 -65.13 -54.88 23.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . 0.696 ' O ' ' HA ' ' A' ' 183' ' ' PHE . 2.5 mt -51.09 -40.1 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . 0.736 ' O ' ' O ' ' A' ' 180' ' ' GLN . 11.5 t-20 -70.41 -33.03 70.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 180' ' ' GLN . . . . . 0.841 ' HG3' ' H ' ' A' ' 182' ' ' LEU . 0.4 OUTLIER -47.25 -152.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 110.26 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.635 ' N ' ' CG ' ' A' ' 180' ' ' GLN . 58.6 t30 -98.04 -30.8 12.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . 0.997 ' O ' ' O ' ' A' ' 183' ' ' PHE . 0.3 OUTLIER -80.53 -2.22 45.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.252 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 183' ' ' PHE . . . . . 0.997 ' O ' ' O ' ' A' ' 182' ' ' LEU . 0.1 OUTLIER 27.23 -178.93 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 184' ' ' SER . . . . . 0.786 ' N ' ' CG ' ' A' ' 183' ' ' PHE . 0.6 OUTLIER -47.71 178.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 110.014 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 185' ' ' TYR . . . . . 0.561 ' CZ ' ' HB2' ' A' ' 187' ' ' ARG . 1.1 t80 -48.46 117.57 2.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 186' ' ' VAL . . . . . . . . . . . . . 7.1 p -41.12 -39.11 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . 0.561 ' HB2' ' CZ ' ' A' ' 185' ' ' TYR . 0.0 OUTLIER -55.34 -50.71 68.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 110.328 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 188' ' ' ASN . . . . . 0.514 ' O ' ' HG3' ' A' ' 191' ' ' ARG . 84.3 m-20 -53.8 -41.26 67.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . 0.587 ' HB2' ' CE1' ' A' ' 183' ' ' PHE . 4.8 tp -66.24 -45.57 80.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 2.8 t -57.65 -57.74 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 191' ' ' ARG . . . . . 0.514 ' HG3' ' O ' ' A' ' 188' ' ' ASN . 0.0 OUTLIER -59.92 -42.83 94.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.31 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 192' ' ' ASN . . . . . 0.463 ' O ' ' C ' ' A' ' 193' ' ' GLU . 19.1 t30 -53.44 -47.86 69.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 193' ' ' GLU . . . . . 0.465 ' CG ' ' O ' ' A' ' 193' ' ' GLU . 0.0 OUTLIER 34.23 43.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 110.269 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 194' ' ' MET . . . . . 0.435 ' CB ' ' OD1' ' A' ' 192' ' ' ASN . 0.7 OUTLIER -138.24 130.98 29.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 179.991 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 ttp . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.439 0.161 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.486 ' O ' ' CB ' ' A' ' 3' ' ' SER . 2.9 p30 173.6 167.41 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.262 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.4 OUTLIER 159.83 149.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.953 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -179.48 147.75 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.2 p -175.06 148.7 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.79 152.22 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.027 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 167.19 162.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 152.48 127.97 1.32 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.476 1.11 . . . . 0.0 110.966 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.7 p -153.43 173.64 15.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 0.79 . . . . 0.0 110.009 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 156.12 139.26 2.72 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.123 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 174.47 155.51 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 0.758 . . . . 0.0 109.241 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.437 ' O ' ' CB ' ' A' ' 13' ' ' ALA . . . 150.33 159.62 8.85 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.118 . . . . 0.0 111.027 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.437 ' CB ' ' O ' ' A' ' 12' ' ' GLY . . . 167.13 132.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 0.763 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.534 ' HG3' ' CE2' ' A' ' 183' ' ' PHE . 5.8 mmtt -144.89 142.83 30.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -62.74 -46.98 85.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.614 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.443 ' CD1' HG23 ' A' ' 83' ' ' ILE . 0.2 OUTLIER -54.18 -37.15 34.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.683 HG22 ' CG2' ' A' ' 178' ' ' ILE . 14.3 m -53.68 -59.07 5.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.386 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -48.88 -36.27 16.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.353 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.511 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.6 OUTLIER -61.29 -33.25 73.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.246 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.624 ' CD2' ' CD2' ' A' ' 90' ' ' LEU . 1.5 tm? -64.27 -45.79 86.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.863 ' HB ' ' CG2' ' A' ' 175' ' ' VAL . 0.5 OUTLIER -59.22 -64.29 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.771 ' HA ' ' CE2' ' A' ' 171' ' ' PHE . 1.4 t80 -62.27 -30.49 71.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 111.029 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -73.68 -34.95 55.91 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.514 1.134 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 1.004 ' CE2' ' HA ' ' A' ' 91' ' ' ALA . 1.3 t80 -56.9 -56.04 26.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 0.78 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 1.033 ' HB2' ' CZ ' ' A' ' 171' ' ' PHE . 0.3 OUTLIER -56.77 -43.37 80.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.579 ' HG3' ' N ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -59.97 -29.54 68.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.324 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.579 ' N ' ' HG3' ' A' ' 26' ' ' GLN . 0.1 OUTLIER -69.14 -86.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.3 t -144.35 50.14 1.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.001 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.412 ' HA3' ' HA ' ' A' ' 25' ' ' LEU . . . -99.73 -97.49 2.17 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.464 1.103 . . . . 0.0 111.043 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.63 ' HB3' ' CB ' ' A' ' 34' ' ' GLU . 43.5 t -110.64 -104.64 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.493 ' O ' HD22 ' A' ' 35' ' ' LEU . 2.7 m -143.83 166.93 23.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.403 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.643 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -46.52 -45.81 18.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 110.261 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.525 ' O ' ' CG2' ' A' ' 37' ' ' VAL . 1.1 mm-40 -60.64 -29.68 69.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.333 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.63 ' CB ' ' HB3' ' A' ' 30' ' ' CYS . 0.7 OUTLIER -71.45 -59.4 2.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.643 ' HG ' ' O ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -46.36 -37.21 7.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 41' ' ' GLU . 11.6 tt0 -72.44 -34.34 67.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.686 ' CG1' HD23 ' A' ' 167' ' ' LEU . 64.1 t -62.2 -63.37 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 1.085 ' HB2' ' CD2' ' A' ' 171' ' ' PHE . 0.1 OUTLIER -73.12 -39.47 65.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.703 ' HA3' ' CD2' ' A' ' 22' ' ' PHE . . . -46.53 -56.39 7.31 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 111.038 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 169.75 68.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.78 . . . . 0.0 110.306 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.5 ' CB ' ' O ' ' A' ' 36' ' ' GLU . 0.8 OUTLIER -144.71 122.86 12.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.285 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -101.7 106.95 49.54 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 55.95 4.08 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.529 1.805 . . . . 0.0 111.065 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.404 ' O ' ' HB2' ' A' ' 45' ' ' GLN . 4.5 p -52.99 -31.45 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' A' ' 44' ' ' VAL . 2.7 tt0 174.78 111.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 47' ' ' TYR . . . -155.4 179.33 9.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.578 ' O ' ' CB ' ' A' ' 48' ' ' TRP . 50.2 t80 -37.35 155.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.578 ' CB ' ' O ' ' A' ' 47' ' ' TYR . 1.8 t-105 154.8 119.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 107.999 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.402 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -110.21 -158.89 0.66 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.402 ' HB1' ' O ' ' A' ' 49' ' ' GLU . . . 174.17 -173.58 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -169.04 176.82 5.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.262 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -179.25 129.61 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.82 131.46 22.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.08 . . . . 0.0 110.283 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -132.12 173.93 10.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 75.25 175.04 0.24 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.2 mp -113.94 178.48 4.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -102.2 116.07 31.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 44.7 p -85.62 -174.13 5.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.377 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -50.39 164.4 0.13 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.445 1.091 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 101.9 129.38 6.66 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.54 1.15 . . . . 0.0 110.972 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.423 ' O ' ' CG ' ' A' ' 62' ' ' GLN . 0.3 OUTLIER -146.16 121.12 10.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 0.754 . . . . 0.0 109.967 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.423 ' CG ' ' O ' ' A' ' 61' ' ' SER . 0.9 OUTLIER 172.84 129.04 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.469 1.106 . . . . 0.0 110.238 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -138.44 179.5 6.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.339 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.0 -177.34 5.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.0 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.567 ' O ' ' CB ' ' A' ' 66' ' ' SER . 18.5 ptp180 -119.31 -178.83 3.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.567 ' CB ' ' O ' ' A' ' 65' ' ' ARG . 0.7 OUTLIER 153.92 174.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.996 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.433 ' N ' ' OG ' ' A' ' 66' ' ' SER . 0.2 OUTLIER -148.4 154.89 40.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.958 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -143.24 171.16 14.47 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -158.12 174.17 15.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.329 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -166.38 131.06 2.27 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.505 1.128 . . . . 0.0 111.035 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -98.23 166.51 11.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 0.782 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 6.0 pt -131.96 130.31 61.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -117.01 137.61 24.0 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 110.282 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -171.83 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.512 1.796 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -162.92 163.71 26.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 53.2 p -167.44 167.2 13.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 0.0 109.961 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -117.44 -93.56 0.51 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 110.295 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.8 p 171.1 -53.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.024 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -41.4 142.23 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -178.36 155.3 0.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 85' ' ' ASN . 0.3 OUTLIER -107.09 -138.34 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.3 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.414 ' CG2' ' N ' ' A' ' 83' ' ' ILE . 4.6 mp -100.38 -99.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.443 HG23 ' CD1' ' A' ' 16' ' ' ILE . 6.3 mt -53.02 -38.84 30.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.353 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.499 ' CD2' ' HG ' ' A' ' 19' ' ' LEU . 44.4 m80 -61.94 -44.68 96.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.593 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' ' 81' ' ' GLU . 3.6 t-20 -54.82 -50.06 69.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.467 HG21 ' N ' ' A' ' 87' ' ' ALA . 1.2 tp -61.71 -37.27 77.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.657 ' O ' ' HB2' ' A' ' 90' ' ' LEU . . . -53.97 -44.45 70.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.548 ' C ' ' OG ' ' A' ' 27' ' ' SER . 0.3 OUTLIER -67.17 -51.98 47.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.682 ' CE1' ' CG2' ' A' ' 93' ' ' ILE . 65.1 t60 -51.18 -20.5 1.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.569 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.657 ' HB2' ' O ' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -58.1 -64.84 0.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 1.004 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . . . -55.26 -45.2 76.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -51.64 -48.07 63.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.27 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.682 ' CG2' ' CE1' ' A' ' 89' ' ' HIS . 1.7 pt -67.64 -22.17 28.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.54 -55.72 25.69 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.488 1.118 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -62.49 -51.57 66.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 0.776 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -61.38 -38.29 86.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.331 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.594 ' CB ' ' O ' ' A' ' 93' ' ' ILE . 7.0 tpp -51.45 -47.6 63.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.962 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 97' ' ' MET . 30.7 t0 -37.51 -32.46 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.455 ' N ' ' O ' ' A' ' 97' ' ' MET . 41.1 t60 -44.23 -39.93 4.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 109.584 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -143.74 87.6 1.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.609 HG21 ' HB2' ' A' ' 107' ' ' ARG . 4.3 mt -116.41 81.29 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.976 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 3.4 tm0? 155.73 48.91 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.27 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.976 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.3 Cg_endo -75.01 76.86 3.28 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.888 ' OG1' ' O ' ' A' ' 103' ' ' PRO . 11.9 p 87.55 5.15 0.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.461 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.655 ' CB ' ' O ' ' A' ' 104' ' ' THR . 8.3 mt 103.01 26.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.804 HG21 ' CD1' ' A' ' 138' ' ' PHE . 0.9 OUTLIER -66.85 -75.41 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.619 ' N ' ' CG1' ' A' ' 106' ' ' VAL . 16.9 mmt180 -57.19 -15.61 6.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.152 . . . . 0.0 110.26 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -63.01 -48.97 76.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 1.035 HD23 ' HA ' ' A' ' 134' ' ' VAL . 1.1 pp -60.44 -59.31 5.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.128 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.848 ' HA ' ' HB3' ' A' ' 130' ' ' ALA . . . -50.3 -34.77 24.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.453 ' O ' ' HG3' ' A' ' 114' ' ' MET . . . -70.18 -24.06 63.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.763 ' CG ' ' O ' ' A' ' 109' ' ' LEU . 6.1 pt20 -54.89 -53.61 53.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.295 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.858 ' CZ ' ' CD1' ' A' ' 155' ' ' LEU . 2.2 p90 -68.59 -38.46 80.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 111.007 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.661 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -49.21 -19.5 0.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.404 ' N ' ' HG3' ' A' ' 114' ' ' MET . 1.0 OUTLIER -107.21 127.31 53.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 109.237 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -172.12 -115.3 0.36 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.578 ' O ' ' CB ' ' A' ' 118' ' ' LEU . 2.6 t -154.86 -92.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 0.786 . . . . 0.0 109.949 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.578 ' CB ' ' O ' ' A' ' 117' ' ' SER . 0.2 OUTLIER 158.34 95.93 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.606 ' O ' ' CB ' ' A' ' 120' ' ' GLU . 23.6 t -137.65 74.83 1.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.982 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.726 ' O ' ' CG ' ' A' ' 121' ' ' GLU . 8.6 mt-10 152.46 -2.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.288 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.726 ' CG ' ' O ' ' A' ' 120' ' ' GLU . 0.4 OUTLIER 95.92 44.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.417 ' O ' ' O ' ' A' ' 123' ' ' LYS . 1.1 m-20 69.6 61.13 0.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.082 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 122' ' ' ASP . 0.3 OUTLIER -43.07 165.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.495 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -120.25 0.26 10.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.545 ' O ' ' N ' ' A' ' 129' ' ' LYS . 9.2 p30 -67.02 -42.38 85.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.561 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 1.6 p -51.65 -55.73 17.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 108.267 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.854 ' HA ' ' CE1' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -57.0 -70.16 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -46.25 -29.84 1.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.561 ' HB2' ' O ' ' A' ' 126' ' ' CYS . 21.1 mtpt -60.94 -29.26 69.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.848 ' HB3' ' HA ' ' A' ' 110' ' ' ALA . . . -72.0 -46.44 57.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.709 ' HB3' ' CE1' ' A' ' 177' ' ' PHE . 0.3 OUTLIER -41.95 -46.86 4.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.281 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.892 ' O ' ' HB ' ' A' ' 136' ' ' THR . 7.7 t70 -67.0 -44.13 81.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.595 ' CB ' HD12 ' A' ' 109' ' ' LEU . 1.5 mp0 -61.93 -61.59 2.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.285 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 1.035 ' HA ' HD23 ' A' ' 109' ' ' LEU . 0.1 OUTLIER -52.62 -38.86 28.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.513 1.133 . . . . 0.0 109.245 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . 0.634 ' CG ' ' O ' ' A' ' 131' ' ' LEU . 0.5 OUTLIER -84.17 7.35 19.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' THR . . . . . 0.892 ' HB ' ' O ' ' A' ' 132' ' ' ASP . 0.5 OUTLIER -110.57 -22.55 11.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 110.421 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.707 ' C ' ' HD3' ' A' ' 139' ' ' PRO . . . -105.47 -49.02 3.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 0.804 ' CD1' HG21 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -117.54 59.57 2.83 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 111.024 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.707 ' HD3' ' C ' ' A' ' 137' ' ' ALA . 18.3 Cg_endo -74.97 155.46 43.05 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.493 1.786 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . 0.739 ' N ' ' CB ' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 161.93 -167.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . 0.688 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 0.8 OUTLIER -88.06 -105.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' MET . . . . . 0.641 ' HA ' ' CE2' ' A' ' 185' ' ' TYR . 12.6 ptt? -63.45 -32.37 73.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . 0.428 ' O ' ' HB1' ' A' ' 147' ' ' ALA . 4.3 mt-10 -66.16 -60.72 2.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . 0.739 ' CB ' ' N ' ' A' ' 140' ' ' ARG . 2.1 t-20 -69.92 -56.94 5.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.688 ' CB ' ' O ' ' A' ' 141' ' ' ASP . 10.4 m-20 -38.73 -54.67 1.56 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.244 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.501 ' O ' ' CG1' ' A' ' 150' ' ' ILE . 6.1 mmpt? -64.58 -33.31 75.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.579 ' N ' ' O ' ' A' ' 144' ' ' ASN . . . -61.32 -54.3 45.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.378 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' MET . . . . . 0.544 ' O ' ' HB2' ' A' ' 151' ' ' MET . 2.4 mtm -51.54 -57.09 10.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.155 . . . . 0.0 111.024 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.555 ' CD1' ' CG1' ' A' ' 178' ' ' ILE . 7.3 tp -54.77 -43.3 72.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . 0.59 ' CG2' ' CZ ' ' A' ' 107' ' ' ARG . 1.3 mm -51.86 -31.86 13.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.108 . . . . 0.0 109.298 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' MET . . . . . 1.055 ' O ' ' CD2' ' A' ' 155' ' ' LEU . 4.9 mmm -61.76 -56.0 24.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 111.01 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' THR . . . . . 0.754 ' HB ' ' O ' ' A' ' 173' ' ' THR . 44.4 p -45.37 -47.16 13.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.427 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' MET . . . . . 0.502 ' HE2' ' CD1' ' A' ' 93' ' ' ILE . 26.2 mtm -68.27 -25.17 65.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 111.011 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.656 ' C ' ' CD2' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -62.21 -51.23 68.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 1.089 ' H ' ' CD2' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -52.93 -54.69 31.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . 0.723 ' O ' ' N ' ' A' ' 160' ' ' ALA . . . -60.52 -54.91 39.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.492 ' O ' ' CE ' ' A' ' 157' ' ' LYS . 0.0 OUTLIER -43.18 -52.21 5.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.342 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . 0.873 ' O ' ' N ' ' A' ' 162' ' ' HIS . 11.5 mmtp -75.51 -54.06 7.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . 0.697 ' HA ' ' H ' ' A' ' 163' ' ' ALA . 49.0 t -52.27 -56.13 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . 0.723 ' N ' ' O ' ' A' ' 156' ' ' ALA . . . -32.73 -37.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 159' ' ' VAL . 0.4 OUTLIER -119.8 -10.91 9.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.02 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . 0.873 ' N ' ' O ' ' A' ' 158' ' ' LYS . 16.2 t-80 -95.46 -50.87 4.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.606 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 0.697 ' H ' ' HA ' ' A' ' 159' ' ' VAL . . . -126.27 66.01 59.78 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' PRO . . . . . 0.502 ' HD3' ' C ' ' A' ' 162' ' ' HIS . 18.3 Cg_endo -74.96 5.6 3.87 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.519 1.8 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.2 -0.64 55.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.018 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 17.5 mt -143.8 48.49 1.41 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.579 1.174 . . . . 0.0 109.284 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . 0.768 HD11 ' N ' ' A' ' 168' ' ' ARG . 0.0 OUTLIER -51.35 -21.88 2.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . 0.768 ' N ' HD11 ' A' ' 167' ' ' LEU . 3.3 ptm180 -61.98 -48.67 79.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . 0.66 ' O ' ' OG1' ' A' ' 173' ' ' THR . 2.6 t70 -65.54 -34.48 78.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 170' ' ' VAL . . . . . 0.607 ' CG2' ' HA ' ' A' ' 156' ' ' ALA . 0.9 OUTLIER -48.9 -60.32 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . 1.085 ' CD2' ' HB2' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -57.16 -50.95 71.24 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 172' ' ' HIS . . . . . 0.603 ' O ' ' CB ' ' A' ' 176' ' ' ASN . 3.5 t-160 -49.25 -42.46 40.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.544 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 173' ' ' THR . . . . . 0.957 ' CG2' ' HG ' ' A' ' 155' ' ' LEU . 1.7 m -52.97 -52.39 58.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.369 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 174' ' ' THR . . . . . 0.742 ' HA ' ' HB ' ' A' ' 152' ' ' THR . 16.8 p -57.88 -68.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.462 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 175' ' ' VAL . . . . . 0.863 ' CG2' ' HB ' ' A' ' 21' ' ' VAL . 16.2 t -70.64 12.42 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.138 . . . . 0.0 109.339 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . 0.741 ' HB3' ' O ' ' A' ' 173' ' ' THR . 0.1 OUTLIER -77.11 -56.18 4.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . 0.716 ' CG ' ' CG2' ' A' ' 152' ' ' THR . 7.0 m-30 -68.27 -47.18 68.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.959 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . 0.683 ' CG2' HG22 ' A' ' 17' ' ' THR . 4.0 mt -53.43 -58.2 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.365 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . 0.528 ' HB3' ' O ' ' A' ' 175' ' ' VAL . 0.3 OUTLIER -58.82 -37.23 75.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 180' ' ' GLN . . . . . 0.556 ' HG2' ' CD2' ' A' ' 131' ' ' LEU . 12.1 tp60 -53.33 -104.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -123.73 -5.55 8.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.345 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . 0.819 ' O ' ' N ' ' A' ' 184' ' ' SER . 0.0 OUTLIER -94.74 35.81 1.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 183' ' ' PHE . . . . . 0.547 ' HA ' ' O ' ' A' ' 178' ' ' ILE . 1.1 t80 -44.54 71.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 184' ' ' SER . . . . . 0.819 ' N ' ' O ' ' A' ' 182' ' ' LEU . 0.4 OUTLIER 56.06 138.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.978 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 185' ' ' TYR . . . . . 0.662 ' CE1' ' CB ' ' A' ' 187' ' ' ARG . 2.0 t80 -64.44 76.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 186' ' ' VAL . . . . . 0.414 ' N ' ' O ' ' A' ' 184' ' ' SER . 30.6 m -43.15 -40.3 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . 0.662 ' CB ' ' CE1' ' A' ' 185' ' ' TYR . 0.3 OUTLIER -53.02 -46.12 68.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 188' ' ' ASN . . . . . 0.58 ' HB2' ' CD2' ' A' ' 185' ' ' TYR . 1.5 t30 -61.27 -48.4 81.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.32 -47.38 72.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 55.5 t -54.66 -47.22 73.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.24 -48.38 80.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.261 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -55.06 -48.25 73.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.19 128.36 35.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.339 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 194' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.1 -46.91 4.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 36.1 p30 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.975 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.472 0.177 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 171.2 129.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 t -179.28 137.52 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.422 1.076 . . . . 0.0 110.001 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 67.6 tt0 -178.06 133.78 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.286 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.6 p -172.47 127.67 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.3 p -178.32 145.5 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.001 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.7 p30 170.57 149.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 143.98 142.93 3.99 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.41 -85.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 0.763 . . . . 0.0 109.972 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.13 69.01 1.11 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.503 1.127 . . . . 0.0 111.032 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -174.97 108.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 0.806 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.468 ' HA3' ' CB ' ' A' ' 46' ' ' ALA . . . -145.2 -169.35 13.49 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -131.07 81.63 2.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 0.758 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.03 38.81 0.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -56.14 -47.23 78.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.602 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.566 HD12 ' CE1' ' A' ' 84' ' ' HIS . 0.2 OUTLIER -60.41 -53.65 45.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.72 ' O ' ' HB3' ' A' ' 20' ' ' LEU . 3.0 m -53.05 -43.95 67.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.421 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -48.76 -46.0 40.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 109.235 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.8 OUTLIER -66.34 -25.37 66.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.741 HD12 ' CD2' ' A' ' 90' ' ' LEU . 0.1 OUTLIER -62.44 -50.28 72.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.867 ' H ' HG23 ' A' ' 175' ' ' VAL . 0.4 OUTLIER -55.27 -59.28 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.775 ' CE1' ' HB3' ' A' ' 35' ' ' LEU . 3.4 t80 -63.89 -27.5 69.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -72.9 -40.9 50.87 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 1.109 ' CE2' ' HA ' ' A' ' 91' ' ' ALA . 0.3 OUTLIER -52.2 -53.57 41.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.0 110.968 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.955 ' HB3' ' HG ' ' A' ' 35' ' ' LEU . 6.2 tp -59.29 -41.31 88.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.464 ' CB ' HD22 ' A' ' 35' ' ' LEU . 0.3 OUTLIER -56.48 -33.85 66.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 -179.93 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.507 ' OG ' ' O ' ' A' ' 24' ' ' PHE . 0.3 OUTLIER -60.86 -73.11 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.014 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.7 t -142.13 28.48 1.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.972 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.551 ' N ' ' O ' ' A' ' 25' ' ' LEU . . . -61.3 -146.91 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.533 ' HB3' ' CB ' ' A' ' 34' ' ' GLU . 7.5 t -86.4 -87.39 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.432 ' H ' ' HB2' ' A' ' 34' ' ' GLU . 5.7 t -146.99 172.26 13.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.418 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.86 -54.83 9.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -53.39 -27.71 25.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.255 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.682 ' HB3' HD22 ' A' ' 25' ' ' LEU . 9.7 tp10 -68.41 -56.19 9.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.955 ' HG ' ' HB3' ' A' ' 25' ' ' LEU . 9.7 mp -46.75 -38.46 10.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.22 -45.12 67.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.624 ' CG1' ' N ' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -62.67 -58.67 6.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.909 ' HB3' ' CG ' ' A' ' 171' ' ' PHE . 19.7 mt -69.96 -44.57 69.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.641 ' N ' ' CD2' ' A' ' 171' ' ' PHE . . . -50.43 -51.16 33.05 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.45 1.094 . . . . 0.0 111.047 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -56.47 82.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.0 110.319 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -142.07 128.9 20.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -102.07 106.02 45.57 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.414 ' HD3' ' O ' ' A' ' 41' ' ' GLU . 18.4 Cg_endo -74.95 63.18 5.93 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.5 1.789 . . . . 0.0 110.983 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 43' ' ' PRO . 19.8 t -39.4 135.41 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 68.73 -176.56 0.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.468 ' CB ' ' HA3' ' A' ' 12' ' ' GLY . . . -165.4 111.38 0.92 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.343 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.458 ' C ' ' O ' ' A' ' 46' ' ' ALA . 9.2 t80 -33.46 -50.35 0.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.998 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.432 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 24.4 m95 63.05 145.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 107.974 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -148.91 -53.65 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.304 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 60.95 116.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -168.22 151.17 5.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 109.346 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 178.0 143.35 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -144.13 128.67 18.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.333 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.467 ' O ' ' CB ' ' A' ' 55' ' ' GLU . 3.8 p30 -153.88 179.59 8.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.467 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 0.5 OUTLIER 83.45 100.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.093 . . . . 0.0 110.29 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.46 ' O ' ' CD1' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -168.68 140.77 2.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.263 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 178.93 138.47 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 110.262 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.2 t -153.64 141.03 19.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.443 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -166.56 169.01 14.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.348 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -148.35 -154.43 6.29 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.517 1.136 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 93.5 p -133.97 161.26 35.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 0.0 109.986 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.71 152.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.9 175.33 10.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 64.5 p -124.49 163.52 21.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.996 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.532 ' O ' ' CB ' ' A' ' 66' ' ' SER . 0.9 OUTLIER -99.4 144.85 28.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.288 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.532 ' CB ' ' O ' ' A' ' 65' ' ' ARG . 1.6 p 156.45 177.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.002 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -161.88 110.06 1.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 111.04 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -162.8 169.4 19.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -110.79 134.06 52.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -167.25 156.35 28.06 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.446 1.091 . . . . 0.0 110.988 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.402 ' O ' ' CG2' ' A' ' 72' ' ' ILE . 3.5 mtm180 -148.81 123.48 9.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 0.773 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.402 ' CG2' ' O ' ' A' ' 71' ' ' ARG . 1.1 pp -153.5 95.14 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -92.71 112.22 54.71 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.322 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 159.75 41.02 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.479 1.778 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 166.85 165.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.32 124.23 0.31 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.972 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -169.33 161.14 9.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.319 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 28.5 t -179.68 -88.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.96 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 71.64 -172.31 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 110.311 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 63.14 145.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.309 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.45 89.6 5.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.412 HG13 ' CB ' ' A' ' 85' ' ' ASN . 0.7 OUTLIER -97.57 -9.99 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.447 HG23 ' CG2' ' A' ' 16' ' ' ILE . 2.6 mp -54.8 -50.58 59.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.566 ' CE1' HD12 ' A' ' 16' ' ' ILE . 95.4 m-70 -62.13 -30.53 71.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.578 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.412 ' CB ' HG13 ' A' ' 82' ' ' ILE . 1.5 t-20 -60.31 -50.79 72.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.1 tp -64.78 -29.91 48.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.694 ' O ' ' HB2' ' A' ' 90' ' ' LEU . . . -54.6 -50.46 67.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.485 ' O ' ' CB ' ' A' ' 27' ' ' SER . 5.6 mtp180 -68.41 -41.88 79.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.548 ' CE1' HG12 ' A' ' 93' ' ' ILE . 60.5 t60 -60.35 -16.32 33.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.605 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.741 ' CD2' HD12 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -59.84 -65.37 0.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.266 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 1.109 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . . . -56.67 -54.72 42.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.341 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -52.13 -27.77 15.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.548 HG12 ' CE1' ' A' ' 89' ' ' HIS . 1.0 OUTLIER -70.67 -38.03 71.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.269 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -59.62 -53.85 42.61 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.501 1.126 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -63.95 -51.38 64.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 0.759 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -57.56 -42.87 83.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.266 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.532 ' HB2' ' O ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -54.06 -44.84 71.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 110.97 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.55 -29.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.44 ' N ' ' C ' ' A' ' 97' ' ' MET . 1.6 t-80 -55.69 -52.17 64.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 109.622 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 97' ' ' MET . 13.5 p-10 -146.96 86.57 1.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.525 ' CG1' ' HG3' ' A' ' 97' ' ' MET . 0.2 OUTLIER -143.46 101.77 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.846 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 6.8 mt-30 159.39 52.0 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.334 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.846 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.2 Cg_endo -75.05 4.57 4.65 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.515 1.797 . . . . 0.0 111.026 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.702 ' O ' ' CB ' ' A' ' 105' ' ' LEU . 0.8 OUTLIER 177.38 -0.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.561 1.163 . . . . 0.0 110.365 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.702 ' CB ' ' O ' ' A' ' 104' ' ' THR . 3.0 mt 107.8 46.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.758 ' HA ' ' CZ ' ' A' ' 138' ' ' PHE . 0.0 OUTLIER -52.26 -93.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.472 ' HG2' ' CG2' ' A' ' 101' ' ' ILE . 0.0 OUTLIER -46.47 -19.54 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.295 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.52 ' HB3' ' HB3' ' A' ' 105' ' ' LEU . 0.6 OUTLIER -69.39 -54.71 13.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 110.272 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 1.049 ' O ' ' CD ' ' A' ' 112' ' ' GLN . 1.3 pp -63.43 -59.88 4.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.447 1.092 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 1.082 ' O ' ' CD2' ' A' ' 113' ' ' PHE . . . -44.95 -48.34 11.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.447 ' CB ' ' O ' ' A' ' 107' ' ' ARG . . . -62.28 -20.13 63.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 1.049 ' CD ' ' O ' ' A' ' 109' ' ' LEU . 0.2 OUTLIER -54.89 -49.55 70.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.308 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 1.082 ' CD2' ' O ' ' A' ' 110' ' ' ALA . 2.4 p90 -63.88 -41.41 97.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.851 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 8.2 ttp -50.44 -27.06 5.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -122.15 109.06 14.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.351 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 117.03 -2.67 19.29 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.439 1.087 . . . . 0.0 111.005 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.573 ' O ' ' CB ' ' A' ' 118' ' ' LEU . 48.1 t -156.0 63.78 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 0.732 . . . . 0.0 110.009 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.573 ' CB ' ' O ' ' A' ' 117' ' ' SER . 0.6 OUTLIER 158.08 102.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.93 120.92 42.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.975 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.531 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 3.3 mt-10 44.92 26.57 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.336 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.531 ' CB ' ' O ' ' A' ' 120' ' ' GLU . 0.4 OUTLIER 88.29 92.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.315 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.439 ' HB2' ' CE ' ' A' ' 123' ' ' LYS . 13.5 m-20 -107.23 -60.85 1.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.448 ' NZ ' ' OG ' ' A' ' 117' ' ' SER . 0.0 OUTLIER -138.94 176.77 8.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.754 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -114.37 3.56 15.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.525 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 3.3 t-20 -70.85 -31.82 68.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.495 ' SG ' ' O ' ' A' ' 117' ' ' SER . 0.0 OUTLIER -44.38 -59.35 2.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 108.293 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.828 ' HA ' ' CZ ' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -51.39 -69.36 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -45.97 -29.09 1.31 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.525 ' HB2' ' O ' ' A' ' 125' ' ' ASN . 0.0 OUTLIER -59.66 -31.06 69.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 109.311 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.774 ' HB3' ' HA ' ' A' ' 110' ' ' ALA . . . -71.66 -47.43 54.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.693 ' N ' ' CZ ' ' A' ' 177' ' ' PHE . 0.0 OUTLIER -39.97 -45.96 1.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.535 ' O ' ' HB ' ' A' ' 136' ' ' THR . 0.1 OUTLIER -70.67 -41.04 72.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.579 ' CB ' HD12 ' A' ' 109' ' ' LEU . 7.9 mm-40 -64.77 -61.35 2.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.316 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 1.027 ' HA ' HD23 ' A' ' 109' ' ' LEU . 0.2 OUTLIER -44.13 -44.82 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . 0.736 ' O ' ' CG ' ' A' ' 139' ' ' PRO . 37.5 mtmt -72.25 -31.52 65.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' THR . . . . . 0.535 ' HB ' ' O ' ' A' ' 132' ' ' ASP . 0.7 OUTLIER -58.49 -20.13 43.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.364 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.706 ' C ' ' HD3' ' A' ' 139' ' ' PRO . . . -114.76 -46.86 2.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 0.857 ' O ' ' HB3' ' A' ' 144' ' ' ASN . 0.0 OUTLIER -118.16 58.58 3.15 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.165 . . . . 0.0 110.974 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.736 ' CG ' ' O ' ' A' ' 135' ' ' LYS . 18.2 Cg_endo -75.0 149.17 36.3 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.489 1.784 . . . . 0.0 110.945 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . 0.798 ' HB2' ' CG ' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 162.82 -171.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.352 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . 0.578 ' O ' ' N ' ' A' ' 145' ' ' ASP . 1.7 m-20 -84.77 -141.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' MET . . . . . 0.449 ' O ' ' HB3' ' A' ' 146' ' ' LYS . 31.9 mmt -49.04 -33.94 12.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 111.021 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.38 -67.79 0.27 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . 0.857 ' HB3' ' O ' ' A' ' 138' ' ' PHE . 0.9 OUTLIER -76.43 -44.61 35.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.578 ' N ' ' O ' ' A' ' 141' ' ' ASP . 7.7 t70 -36.9 -50.53 0.87 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.449 ' HB3' ' O ' ' A' ' 142' ' ' MET . 0.5 OUTLIER -54.43 -32.08 56.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.739 ' N ' ' O ' ' A' ' 144' ' ' ASN . . . -57.03 -55.25 37.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.586 1.179 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' MET . . . . . 0.883 ' HG3' ' N ' ' A' ' 149' ' ' LEU . 0.0 OUTLIER -51.35 -42.84 61.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 111.055 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . 0.883 ' N ' ' HG3' ' A' ' 148' ' ' MET . 2.1 tp -55.62 -43.94 76.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . 0.413 HG23 HG13 ' A' ' 101' ' ' ILE . 52.8 mt -55.46 -32.35 29.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' MET . . . . . 0.697 ' HE2' ' O ' ' A' ' 106' ' ' VAL . 23.5 mmm -57.69 -52.81 63.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' THR . . . . . 0.892 ' CG2' ' CG ' ' A' ' 177' ' ' PHE . 44.8 p -53.87 -47.98 70.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.39 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' MET . . . . . . . . . . . . . 2.7 mpp? -62.79 -27.54 69.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.952 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.683 ' C ' ' CD2' ' A' ' 154' ' ' LEU . 0.0 OUTLIER -57.27 -57.27 13.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.694 HD22 ' CE1' ' A' ' 113' ' ' PHE . 5.4 mp -48.31 -49.36 34.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . 1.028 ' O ' ' O ' ' A' ' 159' ' ' VAL . . . -64.82 -46.29 82.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.346 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 7.5 tptp -48.67 -51.87 26.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.35 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . 0.818 ' O ' ' N ' ' A' ' 163' ' ' ALA . 0.0 OUTLIER -78.2 -51.52 10.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 109.295 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' VAL . . . . . 1.028 ' O ' ' O ' ' A' ' 156' ' ' ALA . 57.7 t -90.48 154.97 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . 0.551 ' HB1' ' CB ' ' A' ' 170' ' ' VAL . . . 70.92 -47.75 0.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' SER . . . . . 0.46 ' H ' ' C ' ' A' ' 159' ' ' VAL . 0.2 OUTLIER -96.2 -9.51 30.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.951 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . 0.646 ' CB ' ' O ' ' A' ' 158' ' ' LYS . 0.1 OUTLIER -151.53 -35.64 0.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.573 1.17 . . . . 0.0 109.606 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 0.818 ' N ' ' O ' ' A' ' 158' ' ' LYS . . . -113.45 98.2 45.9 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 53.92 3.48 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.499 1.789 . . . . 0.0 111.007 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 3.9 m -111.13 -65.3 1.18 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.004 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . 0.631 ' O ' ' N ' ' A' ' 170' ' ' VAL . 0.2 OUTLIER -105.89 53.14 0.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.336 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . 0.753 ' N ' HD11 ' A' ' 167' ' ' LEU . 0.0 OUTLIER -52.32 -59.07 4.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . 0.696 ' N ' HD21 ' A' ' 167' ' ' LEU . 0.7 OUTLIER -58.16 -48.78 79.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.318 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . 0.615 ' N ' ' CG ' ' A' ' 168' ' ' ARG . 0.2 OUTLIER -62.33 -36.56 82.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 170' ' ' VAL . . . . . 0.642 ' CG2' ' HB ' ' A' ' 159' ' ' VAL . 1.0 OUTLIER -50.37 -57.78 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . 0.909 ' CG ' ' HB3' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -50.12 -53.65 25.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 172' ' ' HIS . . . . . 0.632 ' O ' ' CB ' ' A' ' 176' ' ' ASN . 22.2 t-160 -54.35 -29.18 47.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.569 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 173' ' ' THR . . . . . 0.838 ' O ' ' HB ' ' A' ' 152' ' ' THR . 2.1 m -56.6 -57.24 13.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.396 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 174' ' ' THR . . . . . 0.583 ' HA ' ' CB ' ' A' ' 152' ' ' THR . 32.7 p -53.79 -64.77 0.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.402 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 175' ' ' VAL . . . . . 0.867 HG23 ' H ' ' A' ' 21' ' ' VAL . 33.3 t -72.42 9.26 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . 0.795 ' HB3' ' O ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -77.44 -55.62 5.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . 0.892 ' CG ' ' CG2' ' A' ' 152' ' ' THR . 3.6 m-30 -62.09 -51.77 66.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 178' ' ' ILE . . . . . 0.581 ' CG2' HG22 ' A' ' 17' ' ' THR . 2.4 mt -55.2 -45.26 77.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -58.63 -39.98 82.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -94.7 1.38 55.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.275 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.635 ' N ' ' O ' ' A' ' 177' ' ' PHE . 57.5 t30 -97.62 -143.49 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . 0.59 ' CD1' ' N ' ' A' ' 182' ' ' LEU . 0.0 OUTLIER -95.29 41.96 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 183' ' ' PHE . . . . . 0.646 ' O ' ' CD2' ' A' ' 183' ' ' PHE . 5.3 t80 21.08 95.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 184' ' ' SER . . . . . 0.621 ' CB ' ' O ' ' A' ' 183' ' ' PHE . 2.0 m 95.57 70.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.974 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 185' ' ' TYR . . . . . 0.463 ' CD1' ' OD1' ' A' ' 145' ' ' ASP . 1.0 OUTLIER -54.98 -40.94 70.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.989 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 186' ' ' VAL . . . . . . . . . . . . . 8.2 p -59.57 -40.38 81.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.266 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . 0.504 ' O ' ' CG2' ' A' ' 190' ' ' VAL . 0.0 OUTLIER -52.22 -44.93 65.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.312 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 188' ' ' ASN . . . . . 0.445 ' CB ' ' CE ' ' A' ' 142' ' ' MET . 26.8 m-20 -64.33 -42.01 96.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . 0.402 ' N ' ' SD ' ' A' ' 142' ' ' MET . 8.5 tt -57.27 -54.15 50.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 187' ' ' ARG . 18.9 m -59.14 -45.94 92.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -47.69 69.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 110.313 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -62.34 -51.12 68.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.59 -170.76 0.89 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.345 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 194' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.64 44.18 2.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 31.1 t0 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.7 ' CG1' ' CZ ' ' A' ' 183' ' ' PHE . 8.6 tp . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.806 HG23 HG13 ' A' ' 175' ' ' VAL . 0.9 OUTLIER -53.33 -63.52 1.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.416 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -51.7 -35.82 44.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.593 HD13 ' NE2' ' A' ' 84' ' ' HIS . 1.0 OUTLIER -56.51 -33.16 65.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.083 HD21 HD22 ' A' ' 90' ' ' LEU . 1.5 tm? -65.24 -42.77 93.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.962 ' HB ' HG21 ' A' ' 175' ' ' VAL . 0.4 OUTLIER -63.89 -63.62 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 1.118 ' CE1' HD12 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -63.37 -32.0 73.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 111.01 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.543 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -74.29 -40.22 41.6 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 1.263 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 0.5 OUTLIER -51.89 -55.18 21.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 0.761 . . . . 0.0 111.047 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 1.052 HD22 HD12 ' A' ' 38' ' ' LEU . 6.3 tp -60.88 -42.79 98.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.8 tm0? -49.23 -33.28 12.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.508 ' CB ' ' HB2' ' A' ' 88' ' ' ARG . 0.1 OUTLIER -82.88 -57.03 3.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.036 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.46 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 11.8 t -145.29 -141.87 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.049 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.539 ' HA3' HD12 ' A' ' 25' ' ' LEU . . . 81.78 -144.09 23.84 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.436 1.085 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.755 ' H ' HD11 ' A' ' 25' ' ' LEU . 34.6 t -56.06 -110.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.425 ' O ' ' HB3' ' A' ' 34' ' ' GLU . 5.1 m -140.96 170.3 15.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.45 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 1.047 ' O ' HD23 ' A' ' 35' ' ' LEU . 14.3 ptt180 -49.6 -55.3 14.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.259 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -51.85 -27.66 13.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.165 . . . . 0.0 110.316 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.721 ' CG ' HD21 ' A' ' 25' ' ' LEU . 2.9 tp10 -68.11 -57.48 6.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 110.276 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 1.118 HD12 ' CE1' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -46.57 -32.57 3.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.542 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 5.2 tt0 -68.12 -46.62 70.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.804 HG13 HD23 ' A' ' 167' ' ' LEU . 0.3 OUTLIER -65.73 -56.77 13.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 1.052 HD12 HD22 ' A' ' 25' ' ' LEU . 5.1 mt -67.45 -49.4 63.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.419 1.074 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.732 ' HA3' ' CD1' ' A' ' 22' ' ' PHE . . . -57.62 -41.52 93.7 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.542 ' CB ' ' O ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.494 0.761 . . . . 0.0 110.275 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 3.7 pt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.65 ' O ' HG22 ' A' ' 86' ' ' ILE . 0.4 OUTLIER -52.24 -56.25 7.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.593 ' NE2' HD13 ' A' ' 19' ' ' LEU . 30.3 m80 -54.65 -39.22 67.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.556 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.496 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 0.9 OUTLIER -54.3 -44.17 71.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 109.268 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.65 HG22 ' O ' ' A' ' 83' ' ' ILE . 1.3 tp -61.4 -35.22 65.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.706 ' HB1' ' HA ' ' A' ' 20' ' ' LEU . . . -57.27 -58.91 6.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.508 ' HB2' ' CB ' ' A' ' 27' ' ' SER . 2.8 ptt180 -64.16 -37.34 87.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.428 ' N ' ' CG ' ' A' ' 88' ' ' ARG . 15.4 t-80 -57.1 -25.36 58.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.58 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 1.083 HD22 HD21 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -55.11 -60.05 3.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.321 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 1.263 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -54.76 -52.25 63.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -47.87 -35.07 9.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.313 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.921 HG22 ' CE ' ' A' ' 153' ' ' MET . 9.6 mm -70.66 -34.16 55.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.459 ' N ' ' SD ' ' A' ' 153' ' ' MET . . . -57.44 -52.9 48.97 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -60.05 -52.48 65.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -56.69 -41.23 76.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.524 ' CE ' HD13 ' A' ' 150' ' ' ILE . 0.0 OUTLIER -52.79 -44.86 66.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 97' ' ' MET . 22.3 t0 -39.06 -29.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.472 ' N ' ' C ' ' A' ' 97' ' ' MET . 20.1 t-160 -51.49 -53.5 36.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.137 . . . . 0.0 109.595 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 97' ' ' MET . 1.9 t-20 -147.77 85.93 1.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.849 HG23 ' O ' ' A' ' 101' ' ' ILE . 1.7 tt -118.73 72.69 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.737 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 6.3 mt-30 157.95 55.85 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.253 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.737 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.4 Cg_endo -74.96 7.16 2.97 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.466 1.771 . . . . 0.0 111.024 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.725 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 0.4 OUTLIER 177.58 7.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.397 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.725 ' HB2' ' O ' ' A' ' 104' ' ' THR . 6.0 mt 105.47 32.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.345 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.867 ' HA ' ' CZ ' ' A' ' 138' ' ' PHE . 2.1 t -63.17 -82.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.81 ' N ' HG12 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -53.34 -17.83 2.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.325 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.24 -50.49 70.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.338 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 1.179 HD12 ' N ' ' A' ' 110' ' ' ALA . 1.9 pp -62.38 -60.01 4.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 1.179 ' N ' HD12 ' A' ' 109' ' ' LEU . . . -48.57 -37.77 18.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -70.0 -23.1 63.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.775 ' CG ' ' O ' ' A' ' 109' ' ' LEU . 2.6 pt20 -55.26 -52.61 62.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 1.084 ' CD2' ' HB2' ' A' ' 130' ' ' ALA . 1.5 p90 -67.94 -39.06 83.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 111.063 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.709 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 8.9 tmm? . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.653 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.5 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 22.0 t-20 -68.1 -40.29 82.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.501 ' HB2' ' HB2' ' A' ' 113' ' ' PHE . 2.6 p -49.99 -55.36 14.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 108.323 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.888 ' HA ' ' CZ ' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -51.32 -70.63 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -43.38 -29.62 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.5 ' HB2' ' O ' ' A' ' 125' ' ' ASN . 4.9 tttp -63.36 -28.05 69.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 1.084 ' HB2' ' CD2' ' A' ' 113' ' ' PHE . . . -72.36 -47.48 49.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.957 HD13 ' SD ' ' A' ' 148' ' ' MET . 0.0 OUTLIER -40.8 -46.95 2.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.445 ' O ' ' HB ' ' A' ' 136' ' ' THR . 0.3 OUTLIER -68.85 -39.41 79.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.76 ' CB ' HD13 ' A' ' 109' ' ' LEU . 9.0 mt-10 -67.86 -61.07 2.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.271 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 1.175 HG23 ' CE2' ' A' ' 138' ' ' PHE . 0.2 OUTLIER -43.28 -42.36 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.591 ' O ' ' CD ' ' A' ' 139' ' ' PRO . 4.9 ttpt -72.55 -35.15 67.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.244 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.757 HG22 ' O ' ' A' ' 133' ' ' GLU . 0.7 OUTLIER -56.95 -26.49 59.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.396 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.866 ' HB3' ' CE1' ' A' ' 138' ' ' PHE . . . -102.42 -50.17 3.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 1.175 ' CE2' HG23 ' A' ' 134' ' ' VAL . 0.0 OUTLIER -117.78 62.53 4.03 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.81 ' C ' ' HB2' ' A' ' 144' ' ' ASN . 18.4 Cg_endo -74.97 156.31 43.11 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.456 1.766 . . . . 0.0 111.031 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 140' ' ' ARG . . . . . 0.754 ' N ' ' CB ' ' A' ' 144' ' ' ASN . 21.9 mtt180 155.01 -169.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 141' ' ' ASP . . . . . 0.702 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 41.5 m-20 -89.44 -103.64 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 142' ' ' MET . . . . . 0.592 ' CB ' ' CE2' ' A' ' 185' ' ' TYR . 17.1 ptt? -61.69 -32.84 73.07 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -62.32 1.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.254 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 144' ' ' ASN . . . . . 0.81 ' HB2' ' C ' ' A' ' 139' ' ' PRO . 4.1 t30 -67.92 -59.29 3.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 145' ' ' ASP . . . . . 0.702 ' CB ' ' O ' ' A' ' 141' ' ' ASP . 9.8 t70 -39.85 -52.89 2.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.896 ' O ' HG23 ' A' ' 150' ' ' ILE . 10.0 ttmt -66.75 -29.5 69.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.602 ' N ' ' O ' ' A' ' 144' ' ' ASN . . . -63.23 -59.61 4.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 148' ' ' MET . . . . . 0.957 ' SD ' HD13 ' A' ' 131' ' ' LEU . 1.4 ptp -50.65 -44.51 57.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 110.965 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.664 ' N ' ' HG3' ' A' ' 148' ' ' MET . 0.5 OUTLIER -53.12 -43.64 67.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 0.0 109.269 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 0.896 HG23 ' O ' ' A' ' 146' ' ' LYS . 0.6 OUTLIER -53.58 -31.51 19.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 151' ' ' MET . . . . . 1.094 ' O ' ' CD2' ' A' ' 155' ' ' LEU . 5.3 mmm -63.88 -54.68 30.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 152' ' ' THR . . . . . 0.918 HG23 ' HA ' ' A' ' 174' ' ' THR . 0.6 OUTLIER -42.77 -52.53 4.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 110.387 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 153' ' ' MET . . . . . 0.921 ' CE ' HG22 ' A' ' 93' ' ' ILE . 10.8 ptt? -69.49 -25.47 64.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.964 ' C ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -57.59 -51.75 68.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 1.094 ' CD2' ' O ' ' A' ' 151' ' ' MET . 0.0 OUTLIER -52.0 -57.43 9.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 0.947 ' HA ' HG22 ' A' ' 170' ' ' VAL . . . -55.66 -53.88 51.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.507 ' HB2' ' O ' ' A' ' 153' ' ' MET . 0.0 OUTLIER -43.24 -54.21 4.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 158' ' ' LYS . . . . . 0.938 ' O ' ' N ' ' A' ' 162' ' ' HIS . 0.0 OUTLIER -78.53 -56.81 4.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.285 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 159' ' ' VAL . . . . . 1.122 ' CG1' ' HB3' ' A' ' 163' ' ' ALA . 49.1 t -49.6 -57.74 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.699 ' N ' ' O ' ' A' ' 156' ' ' ALA . . . -32.65 -40.2 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 161' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 159' ' ' VAL . 0.4 OUTLIER -116.22 -12.19 11.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.976 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 162' ' ' HIS . . . . . 0.938 ' N ' ' O ' ' A' ' 158' ' ' LYS . 19.2 t60 -93.82 -49.37 5.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.566 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 1.122 ' HB3' ' CG1' ' A' ' 159' ' ' VAL . . . -116.81 81.42 11.91 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -3.47 13.97 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.511 1.795 . . . . 0.0 111.017 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.19 -12.27 23.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.965 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.831 HD22 ' CB ' ' A' ' 169' ' ' ASP . 10.6 mt -111.83 40.55 2.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 167' ' ' LEU . . . . . 0.984 ' O ' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -51.33 -60.56 2.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 168' ' ' ARG . . . . . 0.924 ' H ' HD13 ' A' ' 167' ' ' LEU . 21.6 ptt180 -53.81 -45.72 70.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.278 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 169' ' ' ASP . . . . . 0.831 ' CB ' HD22 ' A' ' 166' ' ' LEU . 0.3 OUTLIER -64.33 -37.72 88.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 170' ' ' VAL . . . . . 0.947 HG22 ' HA ' ' A' ' 156' ' ' ALA . 0.4 OUTLIER -48.51 -55.52 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 171' ' ' PHE . . . . . 0.971 ' CE1' HD22 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -60.5 -48.04 83.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.085 . . . . 0.0 110.987 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 172' ' ' HIS . . . . . 0.527 ' CE1' ' NH1' ' A' ' 124' ' ' ARG . 1.2 t60 -52.98 -36.21 59.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.629 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 173' ' ' THR . . . . . 1.065 HG21 ' CB ' ' A' ' 155' ' ' LEU . 93.3 m -58.62 -47.93 82.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.367 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 174' ' ' THR . . . . . 0.918 ' HA ' HG23 ' A' ' 152' ' ' THR . 16.1 p -61.64 -63.51 1.25 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 110.416 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 175' ' ' VAL . . . . . 0.962 HG21 ' HB ' ' A' ' 21' ' ' VAL . 2.3 t -70.12 8.43 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 176' ' ' ASN . . . . . 0.712 ' HB2' ' CD1' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -77.34 -59.32 2.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 177' ' ' PHE . . . . . 0.857 ' CE2' ' HB2' ' A' ' 151' ' ' MET . 2.6 m-30 -61.23 -52.88 62.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.97 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 178' ' ' ILE . . . . . 0.73 HD11 HG23 ' A' ' 17' ' ' THR . 0.0 OUTLIER -56.46 -43.17 77.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.312 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 179' ' ' ASN . . . . . 0.632 ' CB ' ' O ' ' A' ' 175' ' ' VAL . 7.4 t-20 -63.86 -43.26 96.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.68 -23.51 53.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.282 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 1.013 ' ND2' HD22 ' A' ' 182' ' ' LEU . 24.6 t30 -101.31 -154.35 0.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 182' ' ' LEU . . . . . 1.013 HD22 ' ND2' ' A' ' 181' ' ' ASN . 0.0 OUTLIER -94.74 75.29 3.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.254 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 183' ' ' PHE . . . . . 0.7 ' CZ ' ' CG1' ' A' ' 16' ' ' ILE . 0.7 OUTLIER 22.17 -86.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.967 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 184' ' ' SER . . . . . 0.64 ' N ' ' CG ' ' A' ' 183' ' ' PHE . 2.2 t -116.01 113.5 23.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.024 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 185' ' ' TYR . . . . . 0.592 ' CE2' ' CB ' ' A' ' 142' ' ' MET . 68.1 t80 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.988 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.2 tp . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.906 HG23 HD11 ' A' ' 178' ' ' ILE . 1.2 m -51.79 -67.37 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.403 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -49.54 -37.25 26.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 23' ' ' GLY . 1.0 OUTLIER -58.33 -31.33 67.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.155 HD21 HD22 ' A' ' 90' ' ' LEU . 1.0 OUTLIER -66.61 -45.28 79.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 1.077 ' HB ' HG21 ' A' ' 175' ' ' VAL . 0.4 OUTLIER -62.76 -61.38 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 1.105 ' CD1' HD21 ' A' ' 35' ' ' LEU . 1.6 t80 -62.67 -31.47 72.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 111.011 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -74.33 -37.08 48.61 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 1.197 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 0.5 OUTLIER -57.8 -59.75 4.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 0.792 . . . . 0.0 110.955 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 1.081 HD22 ' CE1' ' A' ' 171' ' ' PHE . 9.6 tp -54.81 -42.03 71.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.63 -29.89 71.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.264 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.591 ' HB3' ' HB3' ' A' ' 91' ' ' ALA . 10.8 t -50.04 -59.8 3.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.019 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.05 -44.92 5.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.016 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.579 ' N ' ' O ' ' A' ' 25' ' ' LEU . . . 91.53 89.53 1.42 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.493 ' HB2' HD11 ' A' ' 25' ' ' LEU . 0.5 OUTLIER -80.03 -59.93 2.53 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.906 HG22 ' H ' ' A' ' 34' ' ' GLU . 1.0 OUTLIER -141.87 119.57 11.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.581 1.176 . . . . 0.0 110.417 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -44.65 -59.43 2.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.561 ' O ' ' HB ' ' A' ' 37' ' ' VAL . 64.0 tt0 -59.34 -25.78 64.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.251 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.906 ' H ' HG22 ' A' ' 31' ' ' THR . 2.2 mt-10 -67.85 -62.9 1.2 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 1.105 HD21 ' CD1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -47.53 -39.67 16.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.451 ' O ' ' O ' ' A' ' 40' ' ' ARG . 3.0 tm-20 -70.16 -48.27 58.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.696 HG13 ' CD2' ' A' ' 167' ' ' LEU . 0.3 OUTLIER -67.32 -55.33 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 1.005 ' HB3' ' CG ' ' A' ' 171' ' ' PHE . 11.8 mt -66.82 -45.48 78.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.841 ' HA3' ' CD2' ' A' ' 22' ' ' PHE . . . -52.15 -47.1 55.89 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.551 1.157 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.451 ' O ' ' O ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.526 0.78 . . . . 0.0 110.28 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 22.9 mm . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.583 ' O ' HG22 ' A' ' 86' ' ' ILE . 0.6 OUTLIER -52.2 -51.27 32.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.257 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.488 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 41.2 m80 -57.07 -39.66 75.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.598 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.443 ' O ' ' CG ' ' A' ' 88' ' ' ARG . 4.0 t-20 -53.1 -45.36 68.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.583 HG22 ' O ' ' A' ' 83' ' ' ILE . 0.7 OUTLIER -62.51 -39.45 84.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.834 ' HA ' HD23 ' A' ' 20' ' ' LEU . . . -53.43 -55.33 26.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.519 ' O ' ' CB ' ' A' ' 27' ' ' SER . 13.0 ptm180 -66.69 -37.84 85.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 0.0 110.31 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.488 ' CD2' HD11 ' A' ' 93' ' ' ILE . 3.2 t60 -53.99 -23.22 12.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.61 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 1.155 HD22 HD21 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -59.17 -62.08 2.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 1.197 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -53.96 -53.9 46.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.272 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -48.47 -34.08 10.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.331 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 97' ' ' MET . 20.6 mt -71.44 -31.29 42.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 91' ' ' ALA . . . -60.24 -52.87 50.09 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -60.95 -52.35 65.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 0.739 . . . . 0.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -61.92 -39.22 91.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.283 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.565 ' SD ' ' CZ ' ' A' ' 107' ' ' ARG . 6.3 mmt -50.9 -43.95 59.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 111.035 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.421 ' HA ' ' CD1' ' A' ' 101' ' ' ILE . 16.5 t70 -38.17 -30.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.466 ' N ' ' C ' ' A' ' 97' ' ' MET . 57.1 t60 -49.52 -42.61 44.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.598 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.446 ' O ' ' NE ' ' A' ' 107' ' ' ARG . 4.8 m-80 -145.49 88.76 1.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.567 ' O ' ' CB ' ' A' ' 102' ' ' GLN . 10.5 mt -116.38 71.95 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.922 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 0.0 OUTLIER 154.67 51.19 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 110.294 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.922 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.4 Cg_endo -75.0 74.77 3.9 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.507 1.793 . . . . 0.0 111.028 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.695 ' O ' ' CB ' ' A' ' 105' ' ' LEU . 3.2 m 92.4 4.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 110.424 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.792 HD23 ' O ' ' A' ' 105' ' ' LEU . 3.9 tt 105.45 26.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 1.071 HG22 ' CD1' ' A' ' 138' ' ' PHE . 1.3 t -71.6 -83.02 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.903 ' N ' HG12 ' A' ' 106' ' ' VAL . 5.1 mtt-85 -54.03 -17.0 2.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -67.96 -49.43 61.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.322 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 1.272 HD12 ' N ' ' A' ' 110' ' ' ALA . 0.6 OUTLIER -55.3 -55.2 34.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.316 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 1.272 ' N ' HD12 ' A' ' 109' ' ' LEU . . . -48.02 -40.96 24.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.332 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.11 -23.24 67.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.246 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.754 ' CG ' ' O ' ' A' ' 109' ' ' LEU . 2.0 pt20 -56.43 -52.67 63.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 110.332 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 1.193 ' CD2' ' HB2' ' A' ' 130' ' ' ALA . 2.7 p90 -66.28 -38.99 89.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.988 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.716 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 9.2 tpt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.822 ' HA ' HD11 ' A' ' 127' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.582 ' O ' ' CB ' ' A' ' 129' ' ' LYS . 7.6 p30 -69.43 -40.59 77.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.904 ' SG ' HD23 ' A' ' 127' ' ' LEU . 22.4 p -53.41 -52.83 58.1 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 108.333 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.904 HD23 ' SG ' ' A' ' 126' ' ' CYS . 0.0 OUTLIER -57.32 -69.59 0.16 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.452 ' HB1' ' CD ' ' A' ' 180' ' ' GLN . . . -49.45 -29.52 6.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.582 ' CB ' ' O ' ' A' ' 125' ' ' ASN . 0.6 OUTLIER -63.06 -28.67 70.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 1.193 ' HB2' ' CD2' ' A' ' 113' ' ' PHE . . . -68.25 -49.53 60.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.666 ' HA ' ' HE1' ' A' ' 177' ' ' PHE . 0.4 OUTLIER -41.13 -45.45 2.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 1.072 ' O ' HG23 ' A' ' 136' ' ' THR . 2.2 m-20 -66.23 -41.29 90.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.753 ' O ' ' OG1' ' A' ' 136' ' ' THR . 2.7 mm-40 -69.22 -60.75 2.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.292 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 1.078 HG23 ' CE2' ' A' ' 138' ' ' PHE . 0.2 OUTLIER -44.99 -33.66 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.664 ' O ' ' CD ' ' A' ' 139' ' ' PRO . 0.0 OUTLIER -75.86 -45.44 35.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 136' ' ' THR . . . . . 1.072 HG23 ' O ' ' A' ' 132' ' ' ASP . 25.4 p -53.83 -24.28 15.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.414 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.92 ' HB3' ' CE1' ' A' ' 138' ' ' PHE . . . -100.74 -52.32 3.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 1.078 ' CE2' HG23 ' A' ' 134' ' ' VAL . 0.0 OUTLIER -118.25 62.5 4.68 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 111.012 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.772 ' C ' ' HB2' ' A' ' 144' ' ' ASN . 18.5 Cg_endo -75.0 154.48 42.52 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.529 1.805 . . . . 0.0 111.017 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 140' ' ' ARG . . . . . 0.745 ' N ' ' CB ' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 157.45 -168.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 141' ' ' ASP . . . . . 0.681 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 68.9 m-20 -88.89 -103.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 142' ' ' MET . . . . . 0.438 ' O ' ' CB ' ' A' ' 146' ' ' LYS . 1.8 mpt? -62.86 -32.02 73.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -67.98 -62.45 1.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' ASN . . . . . 0.772 ' HB2' ' C ' ' A' ' 139' ' ' PRO . 3.6 t30 -66.85 -57.03 7.81 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 145' ' ' ASP . . . . . 0.681 ' CB ' ' O ' ' A' ' 141' ' ' ASP . 81.8 m-20 -41.04 -52.23 3.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 142' ' ' MET . 18.8 ttpt -65.86 -31.19 71.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.685 ' HB1' ' HD2' ' A' ' 138' ' ' PHE . . . -61.55 -57.25 12.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 148' ' ' MET . . . . . 0.94 ' HE3' HD11 ' A' ' 182' ' ' LEU . 73.9 mtm -50.51 -54.52 21.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 0.0 111.006 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.493 HD12 HG22 ' A' ' 178' ' ' ILE . 0.5 OUTLIER -54.46 -41.82 69.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 0.553 HG22 ' O ' ' A' ' 147' ' ' ALA . 0.2 OUTLIER -51.65 -32.59 14.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.266 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 151' ' ' MET . . . . . 1.132 ' O ' ' HG ' ' A' ' 154' ' ' LEU . 4.3 mmt -62.73 -55.14 29.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 152' ' ' THR . . . . . 0.939 HG23 ' HA ' ' A' ' 174' ' ' THR . 0.6 OUTLIER -39.68 -46.38 1.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 110.397 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 153' ' ' MET . . . . . 0.622 ' O ' ' HB3' ' A' ' 157' ' ' LYS . 2.5 mpp? -70.27 -26.64 63.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 1.132 ' HG ' ' O ' ' A' ' 151' ' ' MET . 0.4 OUTLIER -64.36 -43.79 93.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 109.311 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 1.165 HD11 ' CZ ' ' A' ' 113' ' ' PHE . 0.6 OUTLIER -52.82 -60.87 2.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 0.773 ' HB1' ' CB ' ' A' ' 160' ' ' ALA . . . -61.48 -53.82 51.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.248 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.693 ' HA ' ' HB2' ' A' ' 161' ' ' SER . 1.1 tptt -48.14 -39.62 21.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 158' ' ' LYS . . . . . 0.646 ' O ' ' CB ' ' A' ' 162' ' ' HIS . 1.9 mmtt -68.83 -52.78 26.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 159' ' ' VAL . . . . . 1.093 ' CG2' ' HB3' ' A' ' 163' ' ' ALA . 0.2 OUTLIER -99.21 -70.9 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.773 ' CB ' ' HB1' ' A' ' 156' ' ' ALA . . . -32.75 -32.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 161' ' ' SER . . . . . 0.693 ' HB2' ' HA ' ' A' ' 157' ' ' LYS . 0.1 OUTLIER -99.21 -13.41 19.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.998 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 162' ' ' HIS . . . . . 0.936 ' N ' ' O ' ' A' ' 159' ' ' VAL . 8.1 t-80 -124.35 -36.05 2.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.598 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 1.093 ' HB3' ' CG2' ' A' ' 159' ' ' VAL . . . -115.79 76.65 6.02 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 164' ' ' PRO . . . . . 0.492 ' HD3' ' C ' ' A' ' 162' ' ' HIS . 18.2 Cg_endo -75.0 43.78 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.488 1.783 . . . . 0.0 110.946 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 165' ' ' SER . . . . . 0.419 ' H ' ' C ' ' A' ' 163' ' ' ALA . 8.2 t -136.74 33.85 2.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 109.988 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.717 HD12 HG21 ' A' ' 159' ' ' VAL . 6.8 mt -118.6 117.76 29.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 167' ' ' LEU . . . . . 0.709 ' C ' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -64.37 -142.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.256 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 168' ' ' ARG . . . . . 0.696 ' HD2' HD13 ' A' ' 167' ' ' LEU . 0.7 OUTLIER -56.4 -8.58 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.31 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 169' ' ' ASP . . . . . 0.466 ' H ' ' C ' ' A' ' 167' ' ' LEU . 53.2 m-20 -59.47 -58.48 8.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 170' ' ' VAL . . . . . 0.533 HG22 ' HA ' ' A' ' 156' ' ' ALA . 0.4 OUTLIER -65.24 -52.87 47.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 171' ' ' PHE . . . . . 1.081 ' CE1' HD22 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -54.81 -43.35 72.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 172' ' ' HIS . . . . . 0.637 ' CB ' ' O ' ' A' ' 168' ' ' ARG . 8.6 t-80 -60.59 -35.51 76.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.566 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 173' ' ' THR . . . . . 1.075 HG21 ' CB ' ' A' ' 155' ' ' LEU . 78.3 m -54.63 -58.5 7.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.419 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 174' ' ' THR . . . . . 0.939 ' HA ' HG23 ' A' ' 152' ' ' THR . 0.5 OUTLIER -55.36 -58.68 6.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.416 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 175' ' ' VAL . . . . . 1.077 HG21 ' HB ' ' A' ' 21' ' ' VAL . 0.9 OUTLIER -71.38 4.53 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 176' ' ' ASN . . . . . 0.866 ' HB3' ' O ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -80.73 -58.15 3.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 177' ' ' PHE . . . . . 0.725 ' CZ ' ' HB2' ' A' ' 151' ' ' MET . 5.4 m-85 -56.96 -51.07 70.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 111.031 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 178' ' ' ILE . . . . . 1.063 HD12 ' HA ' ' A' ' 175' ' ' VAL . 0.1 OUTLIER -54.83 -46.28 75.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 179' ' ' ASN . . . . . 0.934 ' H ' HD13 ' A' ' 178' ' ' ILE . 0.6 OUTLIER -62.24 -35.39 78.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 180' ' ' GLN . . . . . 0.814 ' N ' ' OD1' ' A' ' 179' ' ' ASN . 79.5 mm-40 -56.19 -103.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 110.322 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 181' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -124.81 4.04 8.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 182' ' ' LEU . . . . . 0.94 HD11 ' HE3' ' A' ' 148' ' ' MET . 0.3 OUTLIER -96.63 15.08 22.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.263 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 183' ' ' PHE . . . . . 0.706 ' O ' ' CG ' ' A' ' 183' ' ' PHE . 0.2 OUTLIER -35.63 113.58 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 184' ' ' SER . . . . . 0.464 ' C ' ' O ' ' A' ' 183' ' ' PHE . 52.3 m 34.75 75.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.971 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 185' ' ' TYR . . . . . 0.415 ' C ' ' O ' ' A' ' 184' ' ' SER . 2.3 t80 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.591 HG21 ' CZ ' ' A' ' 183' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . 1.06 HG21 ' N ' ' A' ' 179' ' ' ASN . 3.5 m -53.59 -46.61 70.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.364 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.99 -40.06 21.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.3 OUTLIER -67.42 -27.79 67.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.028 ' CD2' HD22 ' A' ' 90' ' ' LEU . 1.4 tm? -63.81 -44.95 91.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.949 ' HB ' HG21 ' A' ' 175' ' ' VAL . 0.5 OUTLIER -61.47 -62.23 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 1.115 ' CE2' HD21 ' A' ' 35' ' ' LEU . 10.6 t80 -61.09 -33.93 74.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -77.29 -35.65 37.08 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.496 1.123 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 1.178 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 2.2 t80 -51.83 -58.85 5.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 0.79 . . . . 0.0 110.982 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 1.159 HD22 ' CE1' ' A' ' 171' ' ' PHE . 0.3 OUTLIER -58.0 -43.36 86.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -54.17 -31.95 54.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.513 ' OG ' ' HG2' ' A' ' 88' ' ' ARG . 25.8 t -69.04 -97.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 110.034 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -140.96 20.06 2.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.572 1.17 . . . . 0.0 109.993 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.609 ' HA3' ' CE1' ' A' ' 24' ' ' PHE . . . -58.0 -108.66 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.435 1.084 . . . . 0.0 110.988 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.551 ' H ' HD12 ' A' ' 25' ' ' LEU . 33.0 t -84.36 -96.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.512 ' O ' ' N ' ' A' ' 34' ' ' GLU . 7.4 m -141.88 151.31 42.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.411 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.61 -54.67 3.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 110.343 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.424 ' O ' ' HB ' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -58.67 -26.1 63.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.646 ' C ' HD23 ' A' ' 25' ' ' LEU . 2.9 tp10 -66.54 -56.88 8.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 110.314 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 1.115 HD21 ' CE2' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -44.27 -39.33 4.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.366 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 1.101 ' N ' HD13 ' A' ' 35' ' ' LEU . 27.8 tt0 -77.62 -40.16 42.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.819 HG13 HD23 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -61.29 -57.73 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 1.059 ' HB2' ' CD2' ' A' ' 171' ' ' PHE . 8.4 mt -72.49 -39.26 67.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.765 ' HA3' ' CD1' ' A' ' 22' ' ' PHE . . . -50.7 -52.21 30.4 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.5 1.125 . . . . 0.0 111.048 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.435 ' HD3' ' CE1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.512 0.772 . . . . 0.0 110.25 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 9.0 mt . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.63 ' O ' HG22 ' A' ' 86' ' ' ILE . 46.8 mm -53.74 -56.95 6.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.542 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 58.1 m80 -54.16 -36.5 63.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.576 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -55.56 -45.92 77.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.63 HG22 ' O ' ' A' ' 83' ' ' ILE . 1.8 tp -62.55 -35.4 69.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.012 ' HA ' HD23 ' A' ' 20' ' ' LEU . . . -54.8 -47.53 73.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.513 ' HG2' ' OG ' ' A' ' 27' ' ' SER . 2.0 ttm-85 -65.02 -51.99 58.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.118 . . . . 0.0 110.312 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -59.35 -14.3 11.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.607 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 1.028 HD22 ' CD2' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -63.35 -68.07 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 1.178 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -52.42 -52.54 53.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -49.57 -32.1 11.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 110.315 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.483 ' O ' ' HB2' ' A' ' 97' ' ' MET . 0.3 OUTLIER -69.03 -35.74 70.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -60.57 -51.65 57.41 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.452 1.095 . . . . 0.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.416 ' HA ' ' HE2' ' A' ' 157' ' ' LYS . 22.0 t70 -56.81 -51.79 67.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 0.768 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 99' ' ' HIS . 2.4 mm-40 -63.45 -38.48 91.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.621 ' CE ' HD11 ' A' ' 150' ' ' ILE . 0.0 OUTLIER -50.63 -38.4 45.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.471 ' HB2' ' CE ' ' A' ' 157' ' ' LYS . 28.6 t70 -47.47 -50.73 22.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.429 ' HB2' ' O ' ' A' ' 96' ' ' GLU . 0.8 OUTLIER -43.25 -37.94 2.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.576 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 97' ' ' MET . 0.4 OUTLIER -146.88 87.14 1.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.893 HD12 ' HB2' ' A' ' 107' ' ' ARG . 0.1 OUTLIER -132.92 97.73 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.155 . . . . 0.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.951 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 6.4 mt-30 158.94 47.48 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.951 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.2 Cg_endo -74.99 71.21 5.08 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.5 1.79 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.657 ' CB ' ' O ' ' A' ' 103' ' ' PRO . 3.5 m 93.93 5.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.44 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.651 ' CB ' ' O ' ' A' ' 104' ' ' THR . 0.3 OUTLIER 101.14 28.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 1.305 HG22 ' CD2' ' A' ' 138' ' ' PHE . 0.9 OUTLIER -62.33 -70.56 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.893 ' HB2' HD12 ' A' ' 101' ' ' ILE . 0.0 OUTLIER -50.8 -40.6 55.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.499 ' HB3' ' CD2' ' A' ' 105' ' ' LEU . 2.8 tp60 -62.4 -26.07 68.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.823 ' C ' HD13 ' A' ' 109' ' ' LEU . 0.9 OUTLIER -64.13 -73.46 0.12 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 1.07 ' O ' ' CD2' ' A' ' 113' ' ' PHE . . . -50.31 -34.15 22.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.06 -26.03 65.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 109' ' ' LEU . 0.5 OUTLIER -53.13 -60.11 3.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.281 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 1.194 ' CD2' ' HB2' ' A' ' 130' ' ' ALA . 4.3 p90 -57.36 -42.7 82.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 111.052 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.893 ' CG ' HD23 ' A' ' 155' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.577 1.173 . . . . 0.0 111.022 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.802 ' HA ' HD11 ' A' ' 127' ' ' LEU . 9.3 ttt-85 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.542 ' O ' ' CB ' ' A' ' 129' ' ' LYS . 15.2 m120 -69.96 -44.93 68.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.349 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.615 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 0.5 OUTLIER -52.83 -56.76 13.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 108.314 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.872 HD12 ' HB3' ' A' ' 176' ' ' ASN . 0.0 OUTLIER -54.9 -70.11 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -47.4 -30.67 3.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.615 ' HB2' ' O ' ' A' ' 126' ' ' CYS . 38.7 mttt -58.81 -31.61 68.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 1.194 ' HB2' ' CD2' ' A' ' 113' ' ' PHE . . . -73.44 -45.26 55.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.708 ' N ' ' CZ ' ' A' ' 177' ' ' PHE . 0.3 OUTLIER -42.19 -44.85 3.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.974 ' O ' ' HB ' ' A' ' 136' ' ' THR . 1.2 m-20 -68.08 -50.53 54.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.806 ' HB3' HD21 ' A' ' 109' ' ' LEU . 0.3 OUTLIER -54.81 -61.18 2.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 1.121 HG23 ' CE2' ' A' ' 138' ' ' PHE . 0.2 OUTLIER -52.92 -40.43 36.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.526 ' HG2' ' O ' ' A' ' 135' ' ' LYS . 0.1 OUTLIER -85.06 11.06 10.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.974 ' HB ' ' O ' ' A' ' 132' ' ' ASP . 0.6 OUTLIER -126.14 -16.91 5.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.392 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.601 ' HB3' ' CD1' ' A' ' 138' ' ' PHE . . . -101.57 -51.68 3.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 1.305 ' CD2' HG22 ' A' ' 106' ' ' VAL . 0.1 OUTLIER -125.39 59.8 27.1 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 111.038 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.565 ' HA ' ' HB2' ' A' ' 144' ' ' ASN . 18.4 Cg_endo -74.92 159.9 41.04 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.485 1.782 . . . . 0.0 111.019 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' ARG . . . . . 0.699 ' C ' ' OD1' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 172.48 -142.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 110.275 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 141' ' ' ASP . . . . . 0.643 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 81.9 m-20 -108.72 -103.89 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 142' ' ' MET . . . . . 0.494 ' CB ' ' OH ' ' A' ' 185' ' ' TYR . 6.6 ttm -70.17 -31.9 69.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 143' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' A' ' 146' ' ' LYS . 5.9 tt0 -66.76 -60.59 2.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 144' ' ' ASN . . . . . 0.699 ' OD1' ' C ' ' A' ' 140' ' ' ARG . 1.2 p-10 -65.81 -53.6 37.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 145' ' ' ASP . . . . . 0.659 ' N ' ' CG ' ' A' ' 144' ' ' ASN . 36.0 m-20 -40.83 -55.76 2.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.435 ' HG3' ' N ' ' A' ' 147' ' ' ALA . 5.6 ptpt -62.68 -31.81 72.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.597 ' HB3' ' O ' ' A' ' 144' ' ' ASN . . . -61.14 -55.04 36.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 148' ' ' MET . . . . . 0.705 ' HA ' ' HG2' ' A' ' 151' ' ' MET . 1.2 mtp -49.43 -55.37 13.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.743 HD11 HD11 ' A' ' 90' ' ' LEU . 7.2 tt -53.95 -44.04 70.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.575 1.172 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 0.788 HG21 HD11 ' A' ' 101' ' ' ILE . 50.8 mt -53.72 -31.95 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 151' ' ' MET . . . . . 0.801 ' HB2' ' CE2' ' A' ' 177' ' ' PHE . 0.1 OUTLIER -56.05 -56.0 26.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 152' ' ' THR . . . . . 0.868 ' HB ' ' HA ' ' A' ' 174' ' ' THR . 27.7 p -56.21 -52.07 65.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 110.396 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 153' ' ' MET . . . . . 0.866 ' HE1' HD11 ' A' ' 20' ' ' LEU . 10.4 mmt -65.98 -21.39 66.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 1.08 ' C ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -60.79 -60.44 3.79 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 1.055 HD21 ' CZ ' ' A' ' 113' ' ' PHE . 4.9 mp -50.35 -46.22 55.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 1.143 ' O ' ' O ' ' A' ' 159' ' ' VAL . . . -62.55 -54.09 45.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.477 ' CD ' ' C ' ' A' ' 157' ' ' LYS . 0.1 OUTLIER -46.32 -50.85 15.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 158' ' ' LYS . . . . . 0.801 ' HG3' HG23 ' A' ' 159' ' ' VAL . 18.5 ptmt -74.62 -52.74 10.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 159' ' ' VAL . . . . . 1.143 ' O ' ' O ' ' A' ' 156' ' ' ALA . 87.7 t -92.97 159.47 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.988 ' HB3' HG11 ' A' ' 170' ' ' VAL . . . 64.62 -53.75 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 161' ' ' SER . . . . . 0.591 ' N ' ' O ' ' A' ' 159' ' ' VAL . 0.1 OUTLIER -86.18 -11.08 53.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.021 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 162' ' ' HIS . . . . . 0.622 ' CB ' ' O ' ' A' ' 158' ' ' LYS . 0.0 OUTLIER -148.55 -36.06 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.597 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 1.017 ' HB3' ' HA ' ' A' ' 159' ' ' VAL . . . -113.67 94.65 33.66 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 58.77 4.98 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.529 1.805 . . . . 0.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 165' ' ' SER . . . . . 0.566 ' O ' HD22 ' A' ' 166' ' ' LEU . 75.6 p -102.88 -69.25 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.003 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.566 HD22 ' O ' ' A' ' 165' ' ' SER . 3.7 mm? -124.05 63.87 1.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 167' ' ' LEU . . . . . 0.996 ' HB2' HD21 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -50.64 -28.85 9.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 168' ' ' ARG . . . . . 0.687 ' H ' HD12 ' A' ' 167' ' ' LEU . 0.1 OUTLIER -62.64 -50.6 70.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 169' ' ' ASP . . . . . 0.641 ' N ' ' HG3' ' A' ' 168' ' ' ARG . 6.8 t70 -65.98 -33.41 75.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 170' ' ' VAL . . . . . 0.988 HG11 ' HB3' ' A' ' 160' ' ' ALA . 1.0 OUTLIER -56.79 -65.36 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 171' ' ' PHE . . . . . 1.159 ' CE1' HD22 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -48.51 -52.38 22.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 172' ' ' HIS . . . . . 0.651 ' O ' ' OD1' ' A' ' 176' ' ' ASN . 1.9 t60 -65.15 -24.49 67.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 109.587 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 173' ' ' THR . . . . . 1.255 ' C ' ' OD1' ' A' ' 176' ' ' ASN . 1.4 m -76.32 -7.32 54.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.398 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 174' ' ' THR . . . . . 0.999 ' OG1' ' O ' ' A' ' 171' ' ' PHE . 0.6 OUTLIER -94.58 -58.42 2.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 110.417 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 175' ' ' VAL . . . . . 0.949 HG21 ' HB ' ' A' ' 21' ' ' VAL . 5.0 t -75.18 26.03 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.339 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 176' ' ' ASN . . . . . 1.255 ' OD1' ' C ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -85.96 -65.64 0.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.295 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 177' ' ' PHE . . . . . 0.839 ' HZ ' ' HB3' ' A' ' 130' ' ' ALA . 2.3 m-30 -61.27 -53.82 51.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.542 1.151 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 178' ' ' ILE . . . . . 0.768 HD12 ' O ' ' A' ' 174' ' ' THR . 1.5 mt -52.28 -43.39 39.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 179' ' ' ASN . . . . . 1.06 ' N ' HG21 ' A' ' 17' ' ' THR . 6.7 t-20 -66.28 -38.55 88.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 180' ' ' GLN . . . . . 0.578 ' O ' ' O ' ' A' ' 179' ' ' ASN . 1.5 tt0 -41.37 -104.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.27 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.447 ' CB ' ' NE2' ' A' ' 180' ' ' GLN . 58.9 t30 -129.81 3.44 4.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 182' ' ' LEU . . . . . 0.605 ' CD2' ' CE ' ' A' ' 148' ' ' MET . 0.8 OUTLIER -93.49 16.36 13.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.342 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 183' ' ' PHE . . . . . 0.591 ' CZ ' HG21 ' A' ' 16' ' ' ILE . 49.2 t80 -29.0 95.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 110.997 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 184' ' ' SER . . . . . 0.467 ' H ' HG23 ' A' ' 178' ' ' ILE . 3.9 t 58.14 88.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.994 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 185' ' ' TYR . . . . . 0.497 ' C ' ' CD1' ' A' ' 185' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.573 HD12 HG12 ' A' ' 83' ' ' ILE . 15.3 mm . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.802 HG23 HG13 ' A' ' 175' ' ' VAL . 1.1 m -55.48 -75.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.356 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.463 ' N ' HG22 ' A' ' 17' ' ' THR . 1.0 OUTLIER -49.78 -34.69 20.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.677 HD21 ' HA ' ' A' ' 84' ' ' HIS . 1.2 tp -58.02 -33.58 69.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.114 ' CD2' HD22 ' A' ' 90' ' ' LEU . 1.0 OUTLIER -65.55 -43.39 90.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.906 ' HB ' HG21 ' A' ' 175' ' ' VAL . 0.5 OUTLIER -62.99 -62.96 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.727 ' CE1' ' HB3' ' A' ' 35' ' ' LEU . 3.6 t80 -64.65 -30.89 71.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 111.023 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.557 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -72.24 -41.88 51.87 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 1.226 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 0.3 OUTLIER -53.89 -52.46 60.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 0.724 . . . . 0.0 111.014 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 1.035 HD22 ' CE1' ' A' ' 171' ' ' PHE . 3.0 tp -56.24 -43.21 78.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.577 ' CA ' HD21 ' A' ' 35' ' ' LEU . 0.4 OUTLIER -55.51 -36.62 66.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.269 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.546 ' OG ' ' O ' ' A' ' 88' ' ' ARG . 0.2 OUTLIER -60.38 -62.3 1.96 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.579 ' O ' ' C ' ' A' ' 29' ' ' GLY . 0.5 OUTLIER -142.5 -71.58 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.967 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.769 ' HA3' HD12 ' A' ' 25' ' ' LEU . . . 21.35 -120.47 0.01 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.536 1.148 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.685 ' HB3' ' CB ' ' A' ' 34' ' ' GLU . 44.7 t -99.28 -110.37 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.515 ' H ' ' HB2' ' A' ' 34' ' ' GLU . 15.3 t -141.85 175.98 9.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.416 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.532 ' HA ' HD13 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -47.18 -52.95 14.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 110.277 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.723 ' O ' HG23 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -50.16 -32.05 15.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.265 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.685 ' CB ' ' HB3' ' A' ' 30' ' ' CYS . 0.7 OUTLIER -67.75 -53.3 28.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.789 ' HG ' ' HB3' ' A' ' 25' ' ' LEU . 6.4 mp -44.94 -37.25 3.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -65.76 -49.43 68.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 33' ' ' GLN . 2.0 t -63.85 -60.52 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.98 HD21 ' HG ' ' A' ' 167' ' ' LEU . 9.0 mt -64.98 -45.71 84.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.664 ' HA3' ' O ' ' A' ' 35' ' ' LEU . . . -49.73 -45.19 39.39 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.526 1.141 . . . . 0.0 110.979 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.511 0.771 . . . . 0.0 110.277 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 7.9 pt . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.64 HG23 ' CD2' ' A' ' 84' ' ' HIS . 2.4 tt -50.86 -48.5 28.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.677 ' HA ' HD21 ' A' ' 19' ' ' LEU . 13.5 m-70 -62.47 -47.25 84.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.613 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -51.67 -42.35 62.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.494 HG22 ' O ' ' A' ' 83' ' ' ILE . 0.8 OUTLIER -61.51 -39.8 84.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.766 ' HB1' ' HA ' ' A' ' 20' ' ' LEU . . . -50.32 -47.65 55.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.568 HH21 ' HB3' ' A' ' 84' ' ' HIS . 1.0 OUTLIER -66.0 -37.07 84.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.519 ' CD2' HG12 ' A' ' 93' ' ' ILE . 13.0 t-80 -54.18 -25.24 21.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.621 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 1.114 HD22 ' CD2' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -55.54 -63.52 1.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 1.226 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -55.76 -56.19 23.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.93 -31.81 7.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.519 HG12 ' CD2' ' A' ' 89' ' ' HIS . 1.0 OUTLIER -70.53 -31.41 46.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.609 ' HA2' ' CE ' ' A' ' 153' ' ' MET . . . -61.73 -52.59 49.71 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.124 . . . . 0.0 110.965 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -58.97 -52.58 65.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 0.751 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.43 -38.74 90.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.97 ' HB3' HD12 ' A' ' 101' ' ' ILE . 2.8 mmt -50.54 -41.64 54.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 97' ' ' MET . 39.0 t0 -38.92 -29.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.478 ' N ' ' C ' ' A' ' 97' ' ' MET . 62.7 t60 -39.14 -64.1 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.597 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -144.21 89.66 2.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 1.164 HD11 ' CG2' ' A' ' 150' ' ' ILE . 1.5 tt -128.44 84.7 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.851 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 0.8 OUTLIER 151.72 54.12 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.851 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.3 Cg_endo -74.98 10.07 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.508 1.794 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.719 ' O ' ' CB ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER 165.96 4.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.349 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.719 ' CB ' ' O ' ' A' ' 104' ' ' THR . 0.8 OUTLIER 108.77 39.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 1.07 HG22 ' CD1' ' A' ' 138' ' ' PHE . 1.8 t -69.4 -83.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.855 ' N ' HG12 ' A' ' 106' ' ' VAL . 0.8 OUTLIER -52.95 -29.95 31.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.299 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.534 ' HB3' ' HG ' ' A' ' 105' ' ' LEU . 1.9 tt0 -65.55 -32.12 73.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.274 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 1.368 HD12 ' N ' ' A' ' 110' ' ' ALA . 0.0 OUTLIER -64.17 -58.89 5.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 1.368 ' N ' HD12 ' A' ' 109' ' ' LEU . . . -47.83 -49.2 29.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.512 ' HB2' HD11 ' A' ' 154' ' ' LEU . . . -62.6 -19.79 64.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.788 ' CG ' ' O ' ' A' ' 109' ' ' LEU . 1.1 pt20 -57.76 -48.0 80.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.27 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 1.17 ' CD2' ' O ' ' A' ' 110' ' ' ALA . 3.8 p90 -64.93 -38.61 91.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.822 ' HG3' HD23 ' A' ' 155' ' ' LEU . 8.4 ttp . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.972 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.637 ' HA ' HD11 ' A' ' 127' ' ' LEU . 54.1 mtt-85 . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.473 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 60.8 t30 -70.53 -39.71 73.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 17.6 m -50.62 -56.52 11.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 108.316 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.87 ' HA ' ' CZ ' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -50.58 -67.37 0.26 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.128 . . . . 0.0 109.285 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -45.77 -30.65 1.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' A' ' 125' ' ' ASN . 0.5 OUTLIER -63.51 -26.31 68.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 1.113 ' HB2' ' CD2' ' A' ' 113' ' ' PHE . . . -72.02 -48.68 42.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.694 ' N ' ' CZ ' ' A' ' 177' ' ' PHE . 0.2 OUTLIER -42.53 -44.96 4.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 1.033 ' O ' HG23 ' A' ' 136' ' ' THR . 0.2 OUTLIER -67.39 -40.65 85.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.888 ' O ' ' OG1' ' A' ' 136' ' ' THR . 56.8 mt-10 -68.91 -62.87 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 110.335 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 1.142 HG23 ' CD2' ' A' ' 138' ' ' PHE . 0.1 OUTLIER -42.45 -33.53 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.573 ' O ' ' CD ' ' A' ' 139' ' ' PRO . 0.0 OUTLIER -75.39 -42.76 53.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 136' ' ' THR . . . . . 1.033 HG23 ' O ' ' A' ' 132' ' ' ASP . 22.8 p -52.18 -28.13 17.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.437 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.864 ' HB3' ' CE1' ' A' ' 138' ' ' PHE . . . -102.42 -52.73 3.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 1.142 ' CD2' HG23 ' A' ' 134' ' ' VAL . 0.0 OUTLIER -120.58 69.29 16.01 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.758 ' CA ' ' HB2' ' A' ' 144' ' ' ASN . 18.3 Cg_endo -75.01 -172.89 1.38 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.467 1.772 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 140' ' ' ARG . . . . . 0.729 ' CB ' ' O ' ' A' ' 139' ' ' PRO . 1.3 mtm-85 107.1 -174.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' ASP . . . . . 0.728 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 0.1 OUTLIER -91.17 -98.77 0.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 142' ' ' MET . . . . . 0.479 ' HA ' ' CE2' ' A' ' 185' ' ' TYR . 0.0 OUTLIER -48.15 -33.94 9.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 111.001 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 143' ' ' GLU . . . . . 0.469 ' CB ' ' HD2' ' A' ' 140' ' ' ARG . 0.5 OUTLIER -71.92 -66.72 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.261 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 144' ' ' ASN . . . . . 0.788 ' HB2' ' O ' ' A' ' 138' ' ' PHE . 0.7 OUTLIER -73.26 -58.55 3.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 145' ' ' ASP . . . . . 0.728 ' CB ' ' O ' ' A' ' 141' ' ' ASP . 10.4 t0 -34.84 -52.46 0.54 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.64 -36.8 70.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.72 ' HA ' HD12 ' A' ' 150' ' ' ILE . . . -63.06 -57.29 11.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 148' ' ' MET . . . . . 0.859 ' HG3' ' N ' ' A' ' 149' ' ' LEU . 0.1 OUTLIER -50.75 -47.08 59.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.859 ' N ' ' HG3' ' A' ' 148' ' ' MET . 1.0 OUTLIER -54.26 -39.19 66.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 1.164 ' CG2' HD11 ' A' ' 101' ' ' ILE . 42.1 mt -59.56 -33.56 52.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.336 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 151' ' ' MET . . . . . 0.839 ' O ' HD12 ' A' ' 155' ' ' LEU . 2.3 mmm -55.84 -54.15 48.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 152' ' ' THR . . . . . 0.967 HG21 ' HB2' ' A' ' 177' ' ' PHE . 30.9 p -54.13 -52.45 61.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.413 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 153' ' ' MET . . . . . 0.741 ' CE ' HG23 ' A' ' 150' ' ' ILE . 6.5 tmm? -60.68 -29.65 69.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 0.0 111.038 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 1.105 ' C ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -55.12 -55.7 28.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.348 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 1.074 HD21 ' CZ ' ' A' ' 113' ' ' PHE . 4.8 mp -51.07 -47.03 61.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 1.1 ' O ' ' O ' ' A' ' 159' ' ' VAL . . . -65.14 -53.73 40.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.66 -51.95 11.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 158' ' ' LYS . . . . . 0.863 ' O ' ' N ' ' A' ' 163' ' ' ALA . 28.8 mmmt -76.01 -51.31 12.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 159' ' ' VAL . . . . . 1.1 ' O ' ' O ' ' A' ' 156' ' ' ALA . 48.0 t -92.59 154.38 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.809 ' CB ' HG11 ' A' ' 170' ' ' VAL . . . 69.77 -48.91 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 161' ' ' SER . . . . . 0.474 ' H ' ' C ' ' A' ' 159' ' ' VAL . 0.3 OUTLIER -93.85 -8.44 40.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.994 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 162' ' ' HIS . . . . . 0.57 ' CB ' ' O ' ' A' ' 158' ' ' LYS . 0.2 OUTLIER -153.88 -36.27 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.596 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 0.968 ' HB3' ' HA ' ' A' ' 159' ' ' VAL . . . -112.6 97.34 40.32 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 45.58 1.37 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.46 1.769 . . . . 0.0 110.982 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 1.2 m -103.8 -34.05 8.69 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.96 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 1.026 HD12 HG11 ' A' ' 159' ' ' VAL . 0.1 OUTLIER -133.87 92.42 2.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 167' ' ' LEU . . . . . 0.98 ' HG ' HD21 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -75.68 -80.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.319 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 168' ' ' ARG . . . . . 0.626 ' HA ' ' HA ' ' A' ' 38' ' ' LEU . 2.8 ptt180 -53.85 -38.76 65.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 0.0 110.329 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 169' ' ' ASP . . . . . 0.503 ' N ' ' HG3' ' A' ' 168' ' ' ARG . 0.3 OUTLIER -60.16 -42.02 94.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 170' ' ' VAL . . . . . 0.809 HG11 ' CB ' ' A' ' 160' ' ' ALA . 1.1 t -53.32 -56.33 8.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 171' ' ' PHE . . . . . 1.035 ' CE1' HD22 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -51.22 -53.85 31.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 172' ' ' HIS . . . . . 0.55 ' O ' ' CB ' ' A' ' 176' ' ' ASN . 37.0 t-80 -51.42 -26.43 7.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.625 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 173' ' ' THR . . . . . 0.929 HG21 ' HB2' ' A' ' 155' ' ' LEU . 1.0 OUTLIER -61.25 -59.08 5.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.414 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 174' ' ' THR . . . . . 0.549 ' HA ' ' CB ' ' A' ' 152' ' ' THR . 31.0 p -54.65 -57.79 10.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.388 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 175' ' ' VAL . . . . . 0.906 HG21 ' HB ' ' A' ' 21' ' ' VAL . 2.9 t -75.58 9.7 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 176' ' ' ASN . . . . . 0.865 ' HB2' HD12 ' A' ' 127' ' ' LEU . 0.0 OUTLIER -79.64 -55.64 4.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 177' ' ' PHE . . . . . 0.967 ' HB2' HG21 ' A' ' 152' ' ' THR . 4.1 m-30 -64.62 -53.85 41.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 178' ' ' ILE . . . . . 0.752 HD11 HG23 ' A' ' 17' ' ' THR . 0.0 OUTLIER -54.22 -47.07 68.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 179' ' ' ASN . . . . . 0.556 ' CB ' ' O ' ' A' ' 175' ' ' VAL . 9.8 t-20 -65.35 -39.75 92.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 38.1 mm-40 -78.61 -6.91 56.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.085 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 177' ' ' PHE . 5.0 t-20 -94.72 -140.08 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 182' ' ' LEU . . . . . 0.474 ' HG ' ' OD1' ' A' ' 181' ' ' ASN . 0.0 OUTLIER -89.59 -39.16 13.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 183' ' ' PHE . . . . . 0.552 ' CZ ' ' HB ' ' A' ' 16' ' ' ILE . 12.5 t80 -178.21 -54.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 2.2 t 167.8 129.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.997 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 185' ' ' TYR . . . . . 0.509 ' CD1' ' CG ' ' A' ' 145' ' ' ASP . 2.1 t80 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.481 HD13 ' HA ' ' A' ' 16' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.882 HG22 HG13 ' A' ' 175' ' ' VAL . 1.7 m -52.72 -45.54 67.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 110.398 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -49.63 -43.04 46.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.528 ' O ' ' N ' ' A' ' 23' ' ' GLY . 1.9 mm? -66.99 -25.36 66.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.14 ' CD1' HD22 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -64.85 -49.23 71.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.97 ' HB ' HG21 ' A' ' 175' ' ' VAL . 0.4 OUTLIER -61.58 -60.16 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.169 . . . . 0.0 109.318 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.762 ' CD2' ' HA3' ' A' ' 39' ' ' GLY . 3.2 t80 -61.83 -32.76 73.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 111.014 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -75.05 -36.86 45.0 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.545 1.153 . . . . 0.0 110.961 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 1.211 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 0.7 OUTLIER -53.41 -57.68 9.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 0.776 . . . . 0.0 111.028 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.988 HD22 ' CE1' ' A' ' 171' ' ' PHE . 1.5 tp -57.41 -44.44 84.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.605 ' HG3' ' N ' ' A' ' 27' ' ' SER . 0.1 OUTLIER -54.76 -31.13 58.22 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.605 ' N ' ' HG3' ' A' ' 26' ' ' GLN . 30.9 t -72.0 -93.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.034 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.07 55.15 1.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.029 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.655 ' HA3' HD12 ' A' ' 25' ' ' LEU . . . -99.82 -87.1 1.93 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 111.053 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.486 ' CB ' ' HG2' ' A' ' 34' ' ' GLU . 32.6 t -115.66 -102.07 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.423 ' N ' ' SG ' ' A' ' 30' ' ' CYS . 19.2 p -141.1 162.6 35.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.428 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.441 ' O ' HD22 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -49.25 -57.23 7.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -54.88 -26.58 36.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.299 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.515 ' C ' HD23 ' A' ' 25' ' ' LEU . 3.9 tp10 -68.45 -55.67 11.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.276 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 1.09 HD23 ' N ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -48.64 -31.07 6.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 1.09 ' N ' HD23 ' A' ' 35' ' ' LEU . 1.4 tt0 -69.38 -48.33 61.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.97 HG13 HD23 ' A' ' 167' ' ' LEU . 0.3 OUTLIER -66.01 -56.67 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 109.323 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 1.009 HD22 ' O ' ' A' ' 167' ' ' LEU . 18.0 mt -66.16 -42.4 89.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.762 ' HA3' ' CD2' ' A' ' 22' ' ' PHE . . . -48.76 -43.66 29.94 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.75 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.416 ' O ' HG23 ' A' ' 86' ' ' ILE . 1.5 pp . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.469 ' CD1' HD11 ' A' ' 16' ' ' ILE . 9.8 pt -53.67 -54.79 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.522 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 85.1 m-70 -60.03 -30.87 69.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.618 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -55.6 -46.92 77.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.346 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.799 HD12 ' C ' ' A' ' 86' ' ' ILE . 0.3 OUTLIER -63.18 -37.39 79.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.342 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.883 ' HB1' ' HA ' ' A' ' 20' ' ' LEU . . . -51.98 -48.18 64.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.497 ' CB ' ' HB2' ' A' ' 27' ' ' SER . 0.6 OUTLIER -65.44 -43.08 91.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.788 ' NE2' HD11 ' A' ' 93' ' ' ILE . 85.8 t60 -60.46 -13.42 13.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.618 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 1.14 HD22 ' CD1' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -63.67 -63.91 1.04 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 1.211 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -57.85 -54.29 48.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.503 ' HG3' ' N ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -47.99 -37.05 13.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.269 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.947 HG22 ' SD ' ' A' ' 153' ' ' MET . 4.9 mm -70.77 -31.69 46.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.5 ' N ' ' SD ' ' A' ' 153' ' ' MET . . . -57.82 -53.96 41.13 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.465 1.103 . . . . 0.0 111.032 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -64.63 -45.68 85.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 0.0 109.296 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -58.18 -47.4 83.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.598 ' SD ' HD13 ' A' ' 150' ' ' ILE . 3.1 tpt -57.78 -36.06 71.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.528 ' HA ' HD11 ' A' ' 101' ' ' ILE . 28.1 t0 -38.78 -30.45 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.459 ' N ' ' C ' ' A' ' 97' ' ' MET . 55.2 t-80 -36.84 -69.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.596 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -146.06 87.95 1.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.953 HG22 ' HB2' ' A' ' 107' ' ' ARG . 6.1 mt -98.03 76.49 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.824 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 2.1 mt-30 161.18 52.63 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.312 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.824 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.2 Cg_endo -75.03 -19.79 17.43 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.534 1.807 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.878 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 40.8 p -152.01 8.0 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.404 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.878 ' HB2' ' O ' ' A' ' 104' ' ' THR . 0.3 OUTLIER 104.76 30.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 1.039 ' O ' ' CD1' ' A' ' 109' ' ' LEU . 1.0 OUTLIER -65.87 -56.3 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.319 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.953 ' HB2' HG22 ' A' ' 101' ' ' ILE . 0.1 OUTLIER -69.73 -14.86 63.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.337 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.419 ' O ' ' N ' ' A' ' 112' ' ' GLN . 2.5 tm0? -63.22 -65.48 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.279 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 1.039 ' CD1' ' O ' ' A' ' 106' ' ' VAL . 0.0 OUTLIER -56.04 -58.74 6.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.857 ' O ' ' CD2' ' A' ' 113' ' ' PHE . . . -50.2 -54.2 22.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.791 ' CB ' ' O ' ' A' ' 107' ' ' ARG . . . -63.21 -18.76 63.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.786 ' HG2' ' N ' ' A' ' 113' ' ' PHE . 1.3 pt20 -61.3 -49.27 77.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 110.291 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 1.025 ' CE1' HD12 ' A' ' 127' ' ' LEU . 2.1 p90 -68.43 -36.13 78.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.83 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 111.039 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 1.096 ' O ' HD22 ' A' ' 127' ' ' LEU . 7.0 mmt85 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.626 ' O ' ' N ' ' A' ' 129' ' ' LYS . 4.9 p30 -55.56 -27.43 49.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.459 ' O ' ' CG ' ' A' ' 113' ' ' PHE . 0.8 OUTLIER -46.63 -56.92 5.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 108.324 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 1.096 HD22 ' O ' ' A' ' 124' ' ' ARG . 0.0 OUTLIER -54.73 -57.11 12.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.712 ' HB2' ' OD1' ' A' ' 176' ' ' ASN . . . -57.37 -27.58 62.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.626 ' N ' ' O ' ' A' ' 125' ' ' ASN . 2.9 ttpt -59.0 -33.13 70.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 1.009 ' HB2' ' CD2' ' A' ' 113' ' ' PHE . . . -71.53 -39.09 70.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.364 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.76 ' C ' HD12 ' A' ' 131' ' ' LEU . 0.2 OUTLIER -47.42 -51.55 19.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.629 ' O ' HG23 ' A' ' 136' ' ' THR . 2.4 m-20 -72.24 -51.28 21.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.514 ' O ' ' OG1' ' A' ' 136' ' ' THR . 4.8 mm-40 -70.28 -61.4 1.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 1.14 HG22 ' CZ ' ' A' ' 138' ' ' PHE . 0.3 OUTLIER -49.26 -22.05 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.092 . . . . 0.0 109.276 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.694 ' O ' ' CD ' ' A' ' 139' ' ' PRO . 7.7 ttpt -75.55 -46.95 28.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.629 HG23 ' O ' ' A' ' 132' ' ' ASP . 67.2 p -43.42 -24.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.385 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.881 ' HB3' ' CE1' ' A' ' 138' ' ' PHE . . . -90.13 -48.05 7.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 1.14 ' CZ ' HG22 ' A' ' 134' ' ' VAL . 0.0 OUTLIER -118.12 53.48 1.69 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 111.01 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.739 ' HD3' ' C ' ' A' ' 137' ' ' ALA . 18.4 Cg_endo -75.01 121.0 6.3 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.44 1.758 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 140' ' ' ARG . . . . . 0.595 ' CB ' ' HB2' ' A' ' 144' ' ' ASN . 2.8 tpt180 175.32 -152.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' ASP . . . . . 0.697 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 2.3 m-20 -105.39 -148.24 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 142' ' ' MET . . . . . 0.613 ' HA ' ' CZ ' ' A' ' 185' ' ' TYR . 4.3 ptt? -45.12 -27.11 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.949 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -74.8 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.252 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 144' ' ' ASN . . . . . 0.706 ' O ' ' N ' ' A' ' 147' ' ' ALA . 3.8 m-20 -79.76 -45.06 19.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 145' ' ' ASP . . . . . 0.697 ' CB ' ' O ' ' A' ' 141' ' ' ASP . 51.0 t0 -36.69 -46.03 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.668 ' CB ' ' OH ' ' A' ' 185' ' ' TYR . 0.6 OUTLIER -50.82 -33.24 22.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.706 ' N ' ' O ' ' A' ' 144' ' ' ASN . . . -57.89 -57.77 11.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 148' ' ' MET . . . . . 0.62 ' HG3' ' N ' ' A' ' 149' ' ' LEU . 0.1 OUTLIER -53.48 -46.66 70.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 111.01 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 1.007 HD11 HD11 ' A' ' 90' ' ' LEU . 8.6 tp -59.8 -42.25 93.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 0.598 HD13 ' SD ' ' A' ' 97' ' ' MET . 2.0 mt -50.33 -30.68 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 151' ' ' MET . . . . . 1.098 ' HG3' HG21 ' A' ' 134' ' ' VAL . 2.4 mmm -63.85 -48.42 76.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 110.977 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 152' ' ' THR . . . . . 0.834 ' OG1' ' O ' ' A' ' 174' ' ' THR . 0.6 OUTLIER -46.65 -50.44 17.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.446 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 153' ' ' MET . . . . . 0.947 ' SD ' HG22 ' A' ' 93' ' ' ILE . 11.3 ptp -71.53 -20.9 61.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.974 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 1.126 HD13 HD13 ' A' ' 155' ' ' LEU . 0.0 OUTLIER -59.72 -58.31 9.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 1.126 HD13 HD13 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -52.35 -60.64 2.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 0.987 ' HA ' HG22 ' A' ' 170' ' ' VAL . . . -54.1 -44.61 71.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.485 ' CB ' ' O ' ' A' ' 153' ' ' MET . 19.0 tptt -47.83 -59.11 3.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 158' ' ' LYS . . . . . 0.91 ' O ' ' N ' ' A' ' 162' ' ' HIS . 0.0 OUTLIER -78.63 -56.56 4.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 159' ' ' VAL . . . . . 0.95 ' CG1' ' HB3' ' A' ' 163' ' ' ALA . 59.4 t -42.35 -51.51 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.676 ' HB2' ' O ' ' A' ' 156' ' ' ALA . . . -31.86 -49.59 0.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.15 -10.07 9.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.016 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 162' ' ' HIS . . . . . 0.91 ' N ' ' O ' ' A' ' 158' ' ' LYS . 5.7 t60 -87.45 -44.95 10.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.605 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 0.95 ' HB3' ' CG1' ' A' ' 159' ' ' VAL . . . -119.89 68.19 12.13 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 164' ' ' PRO . . . . . 0.583 ' HD3' ' C ' ' A' ' 162' ' ' HIS . 18.2 Cg_endo -74.98 45.59 1.37 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.54 1.811 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 165' ' ' SER . . . . . 0.604 ' C ' HD23 ' A' ' 166' ' ' LEU . 0.6 OUTLIER -121.27 -46.05 2.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.988 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.604 HD23 ' C ' ' A' ' 165' ' ' SER . 5.6 mt -105.85 54.23 0.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 167' ' ' LEU . . . . . 1.009 ' O ' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -43.62 -55.51 4.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.092 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 168' ' ' ARG . . . . . 0.946 ' N ' HD22 ' A' ' 167' ' ' LEU . 0.5 OUTLIER -54.57 -41.82 70.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 110.307 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 169' ' ' ASP . . . . . 0.497 ' CB ' ' HB3' ' A' ' 166' ' ' LEU . 7.1 t70 -63.54 -38.46 91.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 170' ' ' VAL . . . . . 0.987 HG22 ' HA ' ' A' ' 156' ' ' ALA . 0.4 OUTLIER -46.84 -53.96 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 171' ' ' PHE . . . . . 0.988 ' CE1' HD22 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -61.76 -42.57 99.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 172' ' ' HIS . . . . . 0.648 ' O ' ' CB ' ' A' ' 176' ' ' ASN . 31.1 t60 -61.04 -31.18 70.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.566 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 173' ' ' THR . . . . . 1.072 HG21 ' HB2' ' A' ' 155' ' ' LEU . 6.7 m -65.01 -49.61 69.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 110.384 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 174' ' ' THR . . . . . 0.9 HG23 ' O ' ' A' ' 171' ' ' PHE . 0.4 OUTLIER -61.35 -62.89 1.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.377 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 175' ' ' VAL . . . . . 0.97 HG21 ' HB ' ' A' ' 21' ' ' VAL . 2.3 t -71.53 5.73 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 176' ' ' ASN . . . . . 0.732 ' HB3' ' O ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -73.85 -56.75 4.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 177' ' ' PHE . . . . . 0.847 ' CZ ' ' HB2' ' A' ' 151' ' ' MET . 13.8 m-85 -51.19 -55.59 17.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 178' ' ' ILE . . . . . 0.569 HD13 ' HG ' ' A' ' 20' ' ' LEU . 0.9 OUTLIER -59.48 -43.42 90.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 179' ' ' ASN . . . . . 0.471 ' OD1' ' C ' ' A' ' 179' ' ' ASN . 5.1 t-20 -59.55 -37.79 79.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 180' ' ' GLN . . . . . 0.441 ' HB3' ' CD2' ' A' ' 131' ' ' LEU . 1.8 mm-40 -94.83 -0.98 53.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.583 ' CG ' ' H ' ' A' ' 182' ' ' LEU . 49.9 t30 -95.0 -145.04 0.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 182' ' ' LEU . . . . . 0.583 ' H ' ' CG ' ' A' ' 181' ' ' ASN . 0.0 OUTLIER -94.79 42.69 1.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 183' ' ' PHE . . . . . 0.618 ' O ' ' CB ' ' A' ' 184' ' ' SER . 1.7 t80 22.5 99.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 111.03 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 184' ' ' SER . . . . . 0.618 ' CB ' ' O ' ' A' ' 183' ' ' PHE . 1.4 m 95.28 90.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 109.983 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 185' ' ' TYR . . . . . 0.668 ' OH ' ' CB ' ' A' ' 146' ' ' LYS . 20.4 t80 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.655 HD11 HG13 ' A' ' 83' ' ' ILE . 3.4 tp . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . 1.032 HG23 HG13 ' A' ' 175' ' ' VAL . 0.6 OUTLIER -54.64 -65.44 0.58 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.404 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.611 ' N ' HG22 ' A' ' 17' ' ' THR . 0.0 OUTLIER -50.16 -35.85 27.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.859 HD13 ' CE1' ' A' ' 84' ' ' HIS . 0.7 OUTLIER -58.58 -33.78 70.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.001 HD21 HD22 ' A' ' 90' ' ' LEU . 0.6 OUTLIER -65.31 -45.05 85.89 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.955 ' HB ' HG21 ' A' ' 175' ' ' VAL . 0.5 OUTLIER -63.47 -65.04 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 1.016 ' CD1' HD12 ' A' ' 35' ' ' LEU . 0.7 OUTLIER -61.23 -32.56 72.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 111.033 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -76.13 -36.97 38.83 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 1.201 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 1.3 t80 -53.07 -56.43 16.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 0.752 . . . . 0.0 111.022 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 1.106 HD22 ' CE1' ' A' ' 171' ' ' PHE . 0.3 OUTLIER -57.84 -45.69 85.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.732 ' HB2' HD13 ' A' ' 35' ' ' LEU . 2.7 tt0 -52.9 -32.66 46.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.583 ' HB2' ' CA ' ' A' ' 88' ' ' ARG . 44.4 t -67.47 -97.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.984 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -143.37 38.12 1.39 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 110.018 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.557 ' HA3' ' CE1' ' A' ' 24' ' ' PHE . . . -82.0 -111.65 0.41 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.558 ' SG ' ' HB1' ' A' ' 160' ' ' ALA . 0.8 OUTLIER -76.66 -98.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.9 m -147.62 169.2 20.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.383 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.773 ' O ' HD23 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -51.91 -55.33 20.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.321 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -58.2 -26.69 63.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.301 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.751 ' C ' HD23 ' A' ' 25' ' ' LEU . 0.5 OUTLIER -68.61 -56.37 8.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.27 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 1.016 HD12 ' CD1' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -47.66 -38.94 15.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.255 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.534 ' N ' ' HG ' ' A' ' 35' ' ' LEU . 14.9 tt0 -72.38 -52.45 15.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 110.306 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.631 ' CG1' ' N ' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -55.39 -58.07 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.964 HD12 HD21 ' A' ' 25' ' ' LEU . 27.7 mt -67.28 -43.82 80.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.482 ' HA3' ' O ' ' A' ' 35' ' ' LEU . . . -52.1 -51.46 40.9 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.463 1.102 . . . . 0.0 110.976 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.403 ' O ' ' CG ' ' A' ' 40' ' ' ARG . 3.9 ptm180 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.763 . . . . 0.0 110.293 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 32.6 pt . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.655 HG13 HD11 ' A' ' 16' ' ' ILE . 2.1 pt -52.95 -58.55 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.859 ' CE1' HD13 ' A' ' 19' ' ' LEU . 39.1 m-70 -59.48 -34.75 72.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.601 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -58.01 -45.24 87.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.606 HG22 ' O ' ' A' ' 83' ' ' ILE . 1.6 tp -62.87 -35.76 72.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.941 ' HB1' ' HA ' ' A' ' 20' ' ' LEU . . . -55.09 -51.14 67.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.583 ' CA ' ' HB2' ' A' ' 27' ' ' SER . 7.4 mtp180 -65.9 -51.14 61.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.507 ' O ' ' HB ' ' A' ' 93' ' ' ILE . 45.0 t60 -54.68 -18.18 4.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.632 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 1.001 HD22 HD21 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -61.84 -61.5 2.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 1.201 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -53.83 -57.41 11.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.51 ' HG3' ' N ' ' A' ' 93' ' ' ILE . 0.6 OUTLIER -47.87 -31.28 4.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.624 HG22 ' HE2' ' A' ' 153' ' ' MET . 0.2 OUTLIER -72.06 -34.01 49.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 91' ' ' ALA . . . -57.09 -50.66 62.62 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.419 ' N ' ' HE3' ' A' ' 157' ' ' LYS . 25.7 t70 -61.78 -48.68 79.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 0.785 . . . . 0.0 109.339 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.03 -43.16 95.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 0.0 110.348 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.774 ' SD ' HD13 ' A' ' 150' ' ' ILE . 7.8 tpt -54.67 -39.39 68.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.572 1.17 . . . . 0.0 111.024 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 99' ' ' HIS . 13.3 t0 -42.06 -25.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.448 ' N ' ' C ' ' A' ' 97' ' ' MET . 20.4 t-160 -38.88 -64.58 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.601 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -146.79 89.4 1.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.824 HG23 ' O ' ' A' ' 101' ' ' ILE . 5.0 tt -112.76 73.34 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.699 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 4.0 mt-30 159.59 56.84 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.699 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.2 Cg_endo -75.01 12.11 1.29 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.485 1.782 . . . . 0.0 110.95 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.726 ' O ' ' CB ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER 173.87 -18.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.415 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.726 ' CB ' ' O ' ' A' ' 104' ' ' THR . 4.5 pp 139.96 34.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 1.146 HG22 ' CE1' ' A' ' 138' ' ' PHE . 1.4 t -62.58 -81.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.834 ' N ' HG12 ' A' ' 106' ' ' VAL . 0.5 OUTLIER -54.75 -12.88 0.86 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.253 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.44 ' HB2' ' HA ' ' A' ' 105' ' ' LEU . 3.6 tm0? -63.12 -51.85 64.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 1.041 ' CD1' ' H ' ' A' ' 110' ' ' ALA . 0.4 OUTLIER -61.79 -60.5 3.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 1.041 ' H ' ' CD1' ' A' ' 109' ' ' LEU . . . -53.33 -35.96 60.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.668 ' CB ' ' O ' ' A' ' 107' ' ' ARG . . . -68.09 -25.29 65.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.724 ' HG2' ' H ' ' A' ' 113' ' ' PHE . 2.2 pt20 -57.37 -50.78 71.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.275 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 1.102 ' CD2' ' HB2' ' A' ' 130' ' ' ALA . 1.3 p90 -68.72 -41.92 78.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.817 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 111.013 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.541 ' HD3' ' CE1' ' A' ' 172' ' ' HIS . 1.4 ptp85 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.501 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 5.6 t30 -68.24 -42.11 80.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.752 ' SG ' HD23 ' A' ' 127' ' ' LEU . 1.7 p -51.84 -57.59 8.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 108.289 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.947 HD13 ' HA ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -53.54 -67.54 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.593 ' HB2' ' HG3' ' A' ' 180' ' ' GLN . . . -44.91 -29.76 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 125' ' ' ASN . 0.1 OUTLIER -62.46 -28.94 70.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 1.102 ' HB2' ' CD2' ' A' ' 113' ' ' PHE . . . -73.04 -39.16 66.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.677 ' N ' ' CZ ' ' A' ' 177' ' ' PHE . 0.0 OUTLIER -46.43 -48.69 18.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.595 ' N ' HD23 ' A' ' 131' ' ' LEU . 1.3 m-20 -73.75 -49.21 26.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.723 ' O ' HG22 ' A' ' 136' ' ' THR . 7.0 mm-40 -69.17 -58.15 4.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.133 . . . . 0.0 110.329 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 1.008 HG22 ' CE2' ' A' ' 138' ' ' PHE . 0.3 OUTLIER -45.21 -39.51 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.752 ' O ' ' CD ' ' A' ' 139' ' ' PRO . 32.9 mtmt -73.52 -29.35 62.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.723 HG22 ' O ' ' A' ' 133' ' ' GLU . 1.2 t -49.97 -21.47 1.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 110.403 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.904 ' HB3' ' CE1' ' A' ' 138' ' ' PHE . . . -107.98 -50.53 3.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 1.146 ' CE1' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -118.49 61.09 4.45 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 110.971 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.752 ' CD ' ' O ' ' A' ' 135' ' ' LYS . 18.2 Cg_endo -75.01 -80.26 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.458 1.768 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' ARG . . . . . 0.862 ' CB ' ' HB2' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 33.33 -152.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.167 . . . . 0.0 110.316 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 141' ' ' ASP . . . . . 0.786 ' O ' ' N ' ' A' ' 145' ' ' ASP . 2.5 m-20 -109.01 -140.01 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 142' ' ' MET . . . . . 0.673 ' HG3' ' CD2' ' A' ' 185' ' ' TYR . 6.8 ttt -40.61 -36.41 0.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -63.21 -66.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' ASN . . . . . 0.956 ' HB3' ' C ' ' A' ' 138' ' ' PHE . 0.9 OUTLIER -82.91 -47.43 11.81 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 145' ' ' ASP . . . . . 0.786 ' N ' ' O ' ' A' ' 141' ' ' ASP . 11.8 t70 -40.6 -57.79 1.77 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.509 ' CG ' ' O ' ' A' ' 142' ' ' MET . 12.3 mmmt -52.44 -24.62 8.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.834 ' HB3' ' O ' ' A' ' 144' ' ' ASN . . . -59.65 -55.66 31.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 148' ' ' MET . . . . . 0.752 ' HG3' ' N ' ' A' ' 149' ' ' LEU . 0.4 OUTLIER -53.25 -50.07 65.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.752 ' N ' ' HG3' ' A' ' 148' ' ' MET . 0.2 OUTLIER -54.21 -50.44 67.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 0.774 HD13 ' SD ' ' A' ' 97' ' ' MET . 0.1 OUTLIER -52.22 -26.24 8.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 151' ' ' MET . . . . . 0.935 ' O ' ' CD2' ' A' ' 155' ' ' LEU . 6.4 tpp -62.61 -53.79 49.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 152' ' ' THR . . . . . 1.105 ' OG1' ' O ' ' A' ' 173' ' ' THR . 1.4 t -42.17 -44.95 3.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.387 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 153' ' ' MET . . . . . 0.66 ' SD ' HD23 ' A' ' 90' ' ' LEU . 3.4 mpp? -72.85 -24.83 60.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 1.004 ' C ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -59.71 -50.13 75.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.35 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 1.117 ' CB ' HG21 ' A' ' 173' ' ' THR . 0.0 OUTLIER -50.91 -59.95 3.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 0.995 ' HA ' HG22 ' A' ' 170' ' ' VAL . . . -57.21 -50.54 72.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.506 ' CE ' ' HA ' ' A' ' 157' ' ' LYS . 2.8 tppt? -45.72 -54.63 7.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 158' ' ' LYS . . . . . 0.986 ' O ' ' N ' ' A' ' 162' ' ' HIS . 0.0 OUTLIER -78.03 -59.06 2.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 159' ' ' VAL . . . . . 1.041 HG13 ' CB ' ' A' ' 163' ' ' ALA . 89.0 t -42.4 -55.33 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.558 ' HB1' ' SG ' ' A' ' 30' ' ' CYS . . . -32.51 -48.13 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.28 -10.44 11.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.025 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 162' ' ' HIS . . . . . 0.986 ' N ' ' O ' ' A' ' 158' ' ' LYS . 1.2 t60 -87.36 -51.57 5.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.62 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 1.041 ' CB ' HG13 ' A' ' 159' ' ' VAL . . . -97.71 146.27 31.15 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -30.36 7.24 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.478 1.778 . . . . 0.0 110.955 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.73 76.43 2.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.035 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.5 ' HB2' HG21 ' A' ' 170' ' ' VAL . 0.4 OUTLIER -95.34 30.25 2.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 167' ' ' LEU . . . . . 0.907 ' C ' HD22 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -72.51 -140.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 168' ' ' ARG . . . . . 0.708 ' H ' HD13 ' A' ' 167' ' ' LEU . 0.0 OUTLIER -52.94 -19.95 3.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 169' ' ' ASP . . . . . 0.433 ' N ' ' HG3' ' A' ' 168' ' ' ARG . 1.3 m-20 -63.88 -54.94 26.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 170' ' ' VAL . . . . . 0.995 HG22 ' HA ' ' A' ' 156' ' ' ALA . 1.2 t -54.37 -58.73 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 171' ' ' PHE . . . . . 1.106 ' CE1' HD22 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -57.14 -50.15 73.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 110.981 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 172' ' ' HIS . . . . . 0.619 ' HB2' ' O ' ' A' ' 168' ' ' ARG . 0.7 OUTLIER -51.62 -42.58 62.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.559 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 173' ' ' THR . . . . . 1.117 HG21 ' CB ' ' A' ' 155' ' ' LEU . 57.4 m -52.39 -47.39 66.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 110.414 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 174' ' ' THR . . . . . 0.975 ' HA ' HG23 ' A' ' 152' ' ' THR . 11.5 p -61.17 -64.63 0.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.435 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 175' ' ' VAL . . . . . 1.068 ' HA ' HD12 ' A' ' 178' ' ' ILE . 2.6 t -70.42 9.28 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 176' ' ' ASN . . . . . 0.935 ' HB2' HD12 ' A' ' 127' ' ' LEU . 0.0 OUTLIER -76.6 -58.87 3.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 177' ' ' PHE . . . . . 0.677 ' CZ ' ' N ' ' A' ' 131' ' ' LEU . 2.6 m-30 -62.62 -53.46 54.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 178' ' ' ILE . . . . . 1.068 HD12 ' HA ' ' A' ' 175' ' ' VAL . 0.0 OUTLIER -53.84 -42.24 51.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 179' ' ' ASN . . . . . 1.025 ' N ' HD13 ' A' ' 178' ' ' ILE . 16.6 t-20 -70.73 -42.4 70.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.255 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 180' ' ' GLN . . . . . 0.593 ' HG3' ' HB2' ' A' ' 128' ' ' ALA . 15.1 mm-40 -71.17 -23.98 62.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.336 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.656 ' C ' HD13 ' A' ' 182' ' ' LEU . 1.0 OUTLIER -109.14 -151.89 0.48 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 182' ' ' LEU . . . . . 0.806 HD13 ' N ' ' A' ' 182' ' ' LEU . 0.0 OUTLIER -95.0 80.58 3.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 183' ' ' PHE . . . . . 0.694 ' CG ' ' N ' ' A' ' 184' ' ' SER . 0.2 OUTLIER 23.43 -84.31 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 110.987 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 184' ' ' SER . . . . . 0.694 ' N ' ' CG ' ' A' ' 183' ' ' PHE . 39.9 t -100.96 147.83 25.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.028 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 185' ' ' TYR . . . . . 0.673 ' CD2' ' HG3' ' A' ' 142' ' ' MET . 8.0 t80 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 111.0 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.779 HD12 ' CB ' ' A' ' 19' ' ' LEU . 4.4 pt . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.911 HG22 HG13 ' A' ' 175' ' ' VAL . 4.8 m -49.65 -52.16 32.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.376 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.58 -40.23 18.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.779 ' CB ' HD12 ' A' ' 16' ' ' ILE . 3.6 mm? -63.8 -28.37 69.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.096 ' CD2' HD22 ' A' ' 90' ' ' LEU . 2.5 tm? -65.02 -43.81 91.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.905 ' HB ' HG21 ' A' ' 175' ' ' VAL . 0.5 OUTLIER -60.24 -63.33 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.792 ' CD2' ' HA3' ' A' ' 39' ' ' GLY . 4.3 t80 -62.95 -32.58 73.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.543 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -74.6 -35.83 50.39 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 1.202 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 5.4 t80 -54.14 -58.67 6.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 0.772 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 1.02 HD22 ' CE1' ' A' ' 171' ' ' PHE . 0.3 OUTLIER -55.9 -44.4 78.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.739 ' HB3' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -53.09 -32.71 48.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.594 ' N ' ' HG3' ' A' ' 26' ' ' GLN . 41.0 t -68.52 -96.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.958 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -142.16 20.25 2.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.987 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.616 ' HA3' ' CE1' ' A' ' 24' ' ' PHE . . . -57.9 -104.08 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.512 1.133 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.583 ' H ' HD12 ' A' ' 25' ' ' LEU . 40.4 t -91.56 -95.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 34' ' ' GLU . 0.5 OUTLIER -145.31 153.35 41.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.461 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.52 -57.03 3.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.329 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.972 ' O ' HG23 ' A' ' 37' ' ' VAL . 7.7 tt0 -54.96 -26.24 35.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.427 1.079 . . . . 0.0 110.28 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.69 ' C ' HD23 ' A' ' 25' ' ' LEU . 1.5 tp10 -66.79 -55.77 13.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 1.097 HD23 ' N ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -47.34 -34.75 7.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 1.097 ' N ' HD23 ' A' ' 35' ' ' LEU . 20.8 tt0 -70.26 -44.9 67.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.102 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.972 HG23 ' O ' ' A' ' 33' ' ' GLN . 3.7 t -63.87 -59.86 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 1.176 ' HB2' ' CD2' ' A' ' 171' ' ' PHE . 0.4 OUTLIER -65.75 -41.47 92.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.248 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.792 ' HA3' ' CD2' ' A' ' 22' ' ' PHE . . . -49.58 -43.99 37.23 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.485 1.116 . . . . 0.0 111.021 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.0 ptt85 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.498 0.764 . . . . 0.0 110.276 -179.976 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.488 ' O ' ' HB2' ' A' ' 85' ' ' ASN . 7.3 mm . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.511 ' O ' HG22 ' A' ' 86' ' ' ILE . 1.5 mp -53.38 -40.76 41.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.342 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.41 ' NE2' ' HG ' ' A' ' 19' ' ' LEU . 47.5 m80 -64.31 -41.87 96.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.633 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.488 ' HB2' ' O ' ' A' ' 82' ' ' ILE . 25.3 m120 -52.35 -45.45 65.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.511 HG22 ' O ' ' A' ' 83' ' ' ILE . 0.6 OUTLIER -61.82 -50.39 80.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.967 ' HB1' ' HA ' ' A' ' 20' ' ' LEU . . . -53.36 -37.64 62.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.542 ' O ' ' CB ' ' A' ' 27' ' ' SER . 3.6 ttm180 -64.67 -51.76 60.85 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.833 ' NE2' HD13 ' A' ' 93' ' ' ILE . 86.4 t60 -53.24 -19.55 3.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.582 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 1.096 HD22 ' CD2' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -58.69 -71.67 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.339 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 1.202 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -51.44 -48.08 62.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.253 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -50.03 -41.49 47.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.297 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.95 HG22 ' O ' ' A' ' 90' ' ' LEU . 2.2 tp -67.84 -25.81 33.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.55 ' CA ' ' HD2' ' A' ' 157' ' ' LYS . . . -62.39 -52.67 47.62 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.491 1.119 . . . . 0.0 110.944 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -58.49 -52.18 66.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 0.729 . . . . 0.0 109.315 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -43.1 96.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.269 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.537 ' CB ' ' O ' ' A' ' 93' ' ' ILE . 36.4 tpp -54.5 -38.97 67.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.976 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.467 ' O ' ' C ' ' A' ' 99' ' ' HIS . 26.2 t70 -40.81 -27.09 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.47 ' N ' ' C ' ' A' ' 97' ' ' MET . 1.4 m-70 -35.24 -66.04 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.633 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 47.0 m-20 -146.2 89.63 1.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.779 HG23 ' O ' ' A' ' 101' ' ' ILE . 12.4 tt -105.99 78.17 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.774 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 0.1 OUTLIER 159.99 54.71 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 0.0 110.275 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.774 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.3 Cg_endo -74.98 -20.81 16.54 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.508 1.794 . . . . 0.0 110.976 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.958 ' O ' HD23 ' A' ' 105' ' ' LEU . 33.6 p -146.28 7.88 1.04 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 110.449 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.958 HD23 ' O ' ' A' ' 104' ' ' THR . 0.2 OUTLIER 102.58 31.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 1.175 ' O ' ' CD1' ' A' ' 109' ' ' LEU . 1.2 t -60.77 -63.7 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.08 . . . . 0.0 109.254 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 1.053 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 0.1 OUTLIER -67.18 -13.65 62.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.573 ' O ' ' HB3' ' A' ' 111' ' ' ALA . 0.0 OUTLIER -62.15 -61.08 2.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 1.175 ' CD1' ' O ' ' A' ' 106' ' ' VAL . 0.1 OUTLIER -61.04 -61.68 2.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.988 ' HB2' ' CG2' ' A' ' 134' ' ' VAL . . . -52.79 -17.81 1.55 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 1.053 ' HB2' ' O ' ' A' ' 107' ' ' ARG . . . -82.11 -56.17 4.1 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 1.078 ' HG3' ' O ' ' A' ' 109' ' ' LEU . 0.5 OUTLIER -40.27 -54.56 2.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 1.248 ' CD2' ' HB2' ' A' ' 130' ' ' ALA . 0.2 OUTLIER -62.09 -40.75 96.89 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.676 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 5.5 tpt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 111.018 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.62 ' HA ' HD21 ' A' ' 127' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.524 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 4.8 p30 -72.65 -42.3 64.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.698 ' SG ' ' N ' ' A' ' 127' ' ' LEU . 1.7 p -49.38 -53.83 20.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 108.34 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.843 HD13 ' HB2' ' A' ' 176' ' ' ASN . 0.0 OUTLIER -52.84 -69.97 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.454 ' O ' ' HB3' ' A' ' 131' ' ' LEU . . . -47.63 -27.93 2.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.524 ' HB2' ' O ' ' A' ' 125' ' ' ASN . 0.0 OUTLIER -55.65 -35.3 65.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 1.248 ' HB2' ' CD2' ' A' ' 113' ' ' PHE . . . -72.49 -40.69 66.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.635 ' O ' ' CB ' ' A' ' 135' ' ' LYS . 0.0 OUTLIER -43.76 -41.63 5.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.488 ' O ' ' HB ' ' A' ' 136' ' ' THR . 0.4 OUTLIER -72.96 -52.3 15.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.679 ' O ' HG22 ' A' ' 136' ' ' THR . 1.4 mt-10 -73.66 -59.19 2.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.271 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.988 ' CG2' ' HB2' ' A' ' 110' ' ' ALA . 1.1 t -45.93 -39.27 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.739 ' HG3' ' HA ' ' A' ' 139' ' ' PRO . 0.0 OUTLIER -74.87 -38.13 62.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.679 HG22 ' O ' ' A' ' 133' ' ' GLU . 0.7 OUTLIER -51.56 -19.6 1.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 110.423 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.835 ' HB3' ' CE1' ' A' ' 138' ' ' PHE . . . -103.41 -51.93 3.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 0.896 ' CZ ' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -119.1 65.51 7.5 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.739 ' HA ' ' HG3' ' A' ' 135' ' ' LYS . 18.3 Cg_endo -75.01 -91.41 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.542 1.811 . . . . 0.0 110.978 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 140' ' ' ARG . . . . . 0.726 ' CB ' ' HB2' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 40.49 -168.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 110.284 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 141' ' ' ASP . . . . . 0.645 ' O ' ' N ' ' A' ' 145' ' ' ASP . 4.7 m-20 -94.5 -143.65 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 142' ' ' MET . . . . . 0.608 ' HA ' ' CE2' ' A' ' 185' ' ' TYR . 0.0 OUTLIER -44.59 -34.28 2.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 111.043 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -55.82 -69.09 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' ASN . . . . . 0.749 ' O ' ' N ' ' A' ' 147' ' ' ALA . 4.1 m-20 -80.15 -41.74 24.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 145' ' ' ASP . . . . . 0.645 ' N ' ' O ' ' A' ' 141' ' ' ASP . 83.4 m-20 -36.53 -52.0 0.85 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.534 ' HB2' ' CZ ' ' A' ' 185' ' ' TYR . 11.8 ttpt -53.41 -30.65 41.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.248 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.749 ' N ' ' O ' ' A' ' 144' ' ' ASN . . . -55.64 -56.8 16.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 148' ' ' MET . . . . . 0.769 ' HG3' ' N ' ' A' ' 149' ' ' LEU . 0.0 OUTLIER -52.84 -42.18 64.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.769 ' N ' ' HG3' ' A' ' 148' ' ' MET . 89.8 mt -55.84 -48.5 75.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 0.639 HG23 ' CE ' ' A' ' 153' ' ' MET . 2.5 mt -51.07 -28.26 6.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.254 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 151' ' ' MET . . . . . 0.944 ' SD ' HG13 ' A' ' 106' ' ' VAL . 36.1 mmm -66.68 -50.69 62.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 152' ' ' THR . . . . . 1.129 ' OG1' ' O ' ' A' ' 173' ' ' THR . 1.0 OUTLIER -42.17 -50.43 4.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 110.445 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 153' ' ' MET . . . . . 0.639 ' CE ' HG23 ' A' ' 150' ' ' ILE . 5.4 ptt? -70.58 -26.45 63.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 111.001 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.991 ' C ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -54.33 -49.98 68.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 1.143 ' O ' HG23 ' A' ' 159' ' ' VAL . 0.0 OUTLIER -52.39 -56.65 13.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.334 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 1.049 ' HA ' HG22 ' A' ' 170' ' ' VAL . . . -56.21 -52.03 65.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.665 ' HA ' ' CB ' ' A' ' 161' ' ' SER . 1.3 mtpm? -47.3 -52.66 15.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 158' ' ' LYS . . . . . 0.601 ' O ' ' CB ' ' A' ' 162' ' ' HIS . 17.3 ptmt -73.71 -42.07 61.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 159' ' ' VAL . . . . . 1.143 HG23 ' O ' ' A' ' 155' ' ' LEU . 24.8 t -70.01 -134.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.355 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.924 ' H ' HG12 ' A' ' 159' ' ' VAL . . . -25.9 -62.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.251 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 161' ' ' SER . . . . . 0.665 ' CB ' ' HA ' ' A' ' 157' ' ' LYS . 0.4 OUTLIER -48.86 -13.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.01 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 162' ' ' HIS . . . . . 0.969 ' N ' ' O ' ' A' ' 159' ' ' VAL . 0.6 OUTLIER -148.31 -44.22 0.16 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.428 1.08 . . . . 0.0 109.614 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 1.085 ' N ' ' O ' ' A' ' 159' ' ' VAL . . . -108.61 94.68 14.51 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 164' ' ' PRO . . . . . 0.515 ' HD3' ' O ' ' A' ' 162' ' ' HIS . 18.3 Cg_endo -75.03 74.28 4.07 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.508 1.794 . . . . 0.0 110.975 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.99 -73.73 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.982 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.08 79.9 1.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 167' ' ' LEU . . . . . 0.976 ' HB2' HD21 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -52.38 -25.81 10.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.348 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 168' ' ' ARG . . . . . 0.726 ' H ' HD12 ' A' ' 167' ' ' LEU . 18.8 ptt180 -60.75 -49.84 75.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 169' ' ' ASP . . . . . 0.625 ' N ' ' CG ' ' A' ' 168' ' ' ARG . 65.7 t0 -65.64 -31.92 73.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 170' ' ' VAL . . . . . 1.049 HG22 ' HA ' ' A' ' 156' ' ' ALA . 0.9 OUTLIER -51.24 -65.63 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.255 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 171' ' ' PHE . . . . . 1.176 ' CD2' ' HB2' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -53.74 -51.69 62.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 110.971 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 172' ' ' HIS . . . . . 0.611 ' O ' ' HB3' ' A' ' 176' ' ' ASN . 0.5 OUTLIER -52.06 -42.2 62.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.56 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 173' ' ' THR . . . . . 1.129 ' O ' ' OG1' ' A' ' 152' ' ' THR . 85.7 m -55.9 -39.8 72.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.413 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 174' ' ' THR . . . . . 1.03 ' HA ' HG23 ' A' ' 152' ' ' THR . 11.7 p -65.63 -72.85 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.39 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 175' ' ' VAL . . . . . 0.911 HG13 HG22 ' A' ' 17' ' ' THR . 40.0 t -66.51 10.69 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 176' ' ' ASN . . . . . 0.843 ' HB2' HD13 ' A' ' 127' ' ' LEU . 0.0 OUTLIER -77.54 -61.23 2.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 177' ' ' PHE . . . . . 0.909 ' HZ ' ' HB3' ' A' ' 130' ' ' ALA . 2.5 m-30 -62.16 -53.79 50.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 178' ' ' ILE . . . . . 0.617 ' CG2' HG23 ' A' ' 17' ' ' THR . 2.3 mt -51.64 -46.69 38.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 179' ' ' ASN . . . . . 0.575 ' N ' HG21 ' A' ' 17' ' ' THR . 6.8 t-20 -62.22 -41.29 98.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.238 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -94.75 11.47 31.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.704 ' CG ' HD22 ' A' ' 182' ' ' LEU . 41.9 t30 -95.55 -137.43 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 182' ' ' LEU . . . . . 0.704 HD22 ' CG ' ' A' ' 181' ' ' ASN . 0.1 OUTLIER -91.14 18.48 6.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 183' ' ' PHE . . . . . 0.793 ' O ' ' CG ' ' A' ' 183' ' ' PHE . 13.5 t80 23.52 48.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.96 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 184' ' ' SER . . . . . 0.557 ' CB ' ' O ' ' A' ' 183' ' ' PHE . 0.5 OUTLIER 155.39 43.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.991 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 185' ' ' TYR . . . . . 0.608 ' CE2' ' HA ' ' A' ' 142' ' ' MET . 10.0 t80 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 1.171 HG21 ' CE1' ' A' ' 183' ' ' PHE . 5.4 tp . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . 1.026 ' CG2' HG13 ' A' ' 175' ' ' VAL . 0.2 OUTLIER -52.44 -40.37 62.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.404 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.873 ' O ' HG23 ' A' ' 21' ' ' VAL . 1.0 OUTLIER -47.62 -39.01 15.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.489 HD13 ' HA ' ' A' ' 19' ' ' LEU . 1.8 mm? -70.18 -27.61 64.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.07 ' CD1' HD22 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -60.66 -54.54 44.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.35 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 1.127 HG22 HG21 ' A' ' 175' ' ' VAL . 0.0 OUTLIER -53.53 -60.91 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 109.296 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.892 ' O ' HD12 ' A' ' 35' ' ' LEU . 2.8 t80 -56.97 -35.89 69.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -71.79 -36.21 61.69 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 1.173 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 0.9 OUTLIER -53.86 -57.67 10.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 111.01 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.899 HD23 ' N ' ' A' ' 35' ' ' LEU . 0.3 OUTLIER -57.57 -43.08 84.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -30.67 67.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.334 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.577 ' CB ' ' O ' ' A' ' 88' ' ' ARG . 43.6 t -71.69 -65.24 0.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.029 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.501 ' O ' ' C ' ' A' ' 29' ' ' GLY . 5.5 m -142.68 -89.4 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.029 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.501 ' C ' ' O ' ' A' ' 28' ' ' SER . . . 29.4 -128.52 0.1 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.468 1.105 . . . . 0.0 110.984 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.657 ' HB3' ' CB ' ' A' ' 34' ' ' GLU . 49.0 t -75.05 -109.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.649 HG23 ' HG3' ' A' ' 33' ' ' GLN . 4.3 t -145.26 172.59 12.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.432 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.63 ' O ' HD23 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -48.12 -51.11 26.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.924 ' O ' HG23 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -54.46 -28.19 42.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 110.322 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.843 ' CG ' HD21 ' A' ' 25' ' ' LEU . 3.6 tp10 -68.63 -58.95 3.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.899 ' N ' HD23 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -44.69 -35.31 2.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.265 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.507 ' N ' HD23 ' A' ' 35' ' ' LEU . 1.9 tt0 -69.67 -39.67 76.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.258 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.924 HG23 ' O ' ' A' ' 33' ' ' GLN . 20.1 t -64.48 -60.99 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 1.157 ' HB2' ' CD2' ' A' ' 171' ' ' PHE . 0.3 OUTLIER -64.07 -44.57 92.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.621 ' HA3' ' CD1' ' A' ' 22' ' ' PHE . . . -46.21 -52.4 10.41 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.416 ' O ' ' O ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.477 0.751 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.1 pp . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.604 ' O ' HG22 ' A' ' 86' ' ' ILE . 59.4 mt -53.49 -50.78 47.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.617 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 28.0 m80 -62.31 -34.14 76.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.602 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.439 ' HA ' ' CZ ' ' A' ' 88' ' ' ARG . 3.8 t-20 -56.47 -49.93 73.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.604 HG22 ' O ' ' A' ' 83' ' ' ILE . 1.0 OUTLIER -62.77 -32.52 56.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.924 ' HB1' ' HA ' ' A' ' 20' ' ' LEU . . . -52.81 -48.2 67.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.577 ' O ' ' CB ' ' A' ' 27' ' ' SER . 0.2 OUTLIER -67.63 -40.86 84.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.09 . . . . 0.0 110.295 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.546 ' O ' ' HB ' ' A' ' 93' ' ' ILE . 15.2 t-160 -57.16 -18.8 16.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.617 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 1.07 HD22 ' CD1' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -56.35 -70.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 1.173 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -53.04 -52.18 59.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -53.18 -27.14 19.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.546 ' HB ' ' O ' ' A' ' 89' ' ' HIS . 0.1 OUTLIER -68.06 -36.83 76.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.613 ' CA ' ' HG3' ' A' ' 153' ' ' MET . . . -59.18 -53.5 45.79 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.455 1.097 . . . . 0.0 110.98 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -54.73 -48.08 73.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 0.796 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -37.3 87.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 110.304 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.602 ' CG ' ' N ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER -49.88 -49.97 47.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.602 ' N ' ' CG ' ' A' ' 97' ' ' MET . 22.9 t0 -38.35 -31.26 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 97' ' ' MET . 11.8 t-160 -52.82 -62.83 1.39 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.602 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -148.41 88.49 1.64 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 1.034 HD12 HG21 ' A' ' 106' ' ' VAL . 0.2 OUTLIER -129.52 98.06 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.362 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.885 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 2.2 pt20 160.05 51.01 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.885 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.2 Cg_endo -75.0 -12.42 21.51 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.509 1.794 . . . . 0.0 110.968 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.72 ' O ' HD12 ' A' ' 105' ' ' LEU . 0.5 OUTLIER -161.07 3.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.72 HD12 ' O ' ' A' ' 104' ' ' THR . 2.0 mt 103.52 41.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 1.034 HG21 HD12 ' A' ' 101' ' ' ILE . 1.4 m -50.32 -86.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.893 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 0.0 OUTLIER -48.35 -22.33 0.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.283 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.566 ' O ' ' HB3' ' A' ' 111' ' ' ALA . 3.0 mm-40 -65.78 -52.54 49.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 1.152 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 0.5 OUTLIER -68.03 -63.01 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.236 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 1.149 ' N ' HD12 ' A' ' 109' ' ' LEU . . . -48.26 -23.13 0.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.893 ' HB2' ' O ' ' A' ' 107' ' ' ARG . . . -68.26 -52.6 32.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.577 1.173 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 1.152 ' HG3' ' O ' ' A' ' 109' ' ' LEU . 0.6 OUTLIER -49.46 -39.15 32.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 1.086 ' CE2' HD11 ' A' ' 155' ' ' LEU . 0.0 OUTLIER -61.17 -50.26 73.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 111.036 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.783 ' HG3' HD12 ' A' ' 155' ' ' LEU . 1.1 ttm . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.558 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.472 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 4.6 m120 -69.36 -40.27 77.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.647 ' SG ' HD23 ' A' ' 127' ' ' LEU . 14.2 p -51.49 -53.54 36.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 108.272 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.85 ' HA ' ' CE1' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -57.45 -68.62 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -44.41 -28.24 0.53 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.145 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.484 ' HB2' ' O ' ' A' ' 126' ' ' CYS . 7.2 mttt -63.46 -33.74 76.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.977 ' O ' HG12 ' A' ' 134' ' ' VAL . . . -71.35 -41.05 70.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.793 ' N ' ' CZ ' ' A' ' 177' ' ' PHE . 0.2 OUTLIER -48.17 -43.67 31.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.677 ' O ' ' HB ' ' A' ' 136' ' ' THR . 5.6 m-20 -63.84 -50.72 67.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.742 ' CB ' HD13 ' A' ' 109' ' ' LEU . 6.9 mm-40 -53.81 -63.86 1.01 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 110.294 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.977 HG12 ' O ' ' A' ' 130' ' ' ALA . 0.2 OUTLIER -53.91 -36.75 31.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.47 ' HB2' ' SD ' ' A' ' 148' ' ' MET . 0.1 OUTLIER -78.86 4.14 14.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.677 ' HB ' ' O ' ' A' ' 132' ' ' ASP . 0.6 OUTLIER -121.08 -18.36 7.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.366 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.754 ' HB3' ' CE1' ' A' ' 138' ' ' PHE . . . -99.57 -51.21 3.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 1.109 ' CZ ' HD23 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -118.78 57.39 3.24 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.703 ' HD3' ' C ' ' A' ' 137' ' ' ALA . 18.3 Cg_endo -74.97 147.27 33.82 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.413 1.744 . . . . 0.0 110.968 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 140' ' ' ARG . . . . . 0.841 ' N ' ' CB ' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 167.67 -154.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 141' ' ' ASP . . . . . 0.609 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 11.5 m-20 -96.82 -111.25 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 142' ' ' MET . . . . . 0.589 ' HA ' ' CE2' ' A' ' 185' ' ' TYR . 5.0 ptt? -60.68 -38.45 85.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 143' ' ' GLU . . . . . 0.579 ' HG2' ' HB3' ' A' ' 140' ' ' ARG . 0.0 OUTLIER -63.2 -57.92 8.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.278 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 144' ' ' ASN . . . . . 0.841 ' CB ' ' N ' ' A' ' 140' ' ' ARG . 2.4 t30 -69.73 -59.43 2.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 145' ' ' ASP . . . . . 0.627 ' OD2' ' CE1' ' A' ' 185' ' ' TYR . 77.3 m-20 -40.44 -53.03 2.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 142' ' ' MET . 11.4 ttpt -62.42 -33.83 75.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.562 ' HB3' ' O ' ' A' ' 144' ' ' ASN . . . -61.43 -55.1 35.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 148' ' ' MET . . . . . 0.685 ' HA ' HG21 ' A' ' 134' ' ' VAL . 1.1 mtp -48.25 -57.86 5.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 111.031 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.953 HD23 HD11 ' A' ' 90' ' ' LEU . 9.4 mp -53.45 -43.61 68.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 109.349 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 0.734 HG21 HD11 ' A' ' 101' ' ' ILE . 0.4 OUTLIER -52.62 -31.9 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.269 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 151' ' ' MET . . . . . 0.9 ' HG3' HG11 ' A' ' 134' ' ' VAL . 40.5 mmm -60.82 -54.81 40.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 111.03 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 152' ' ' THR . . . . . 0.891 HG21 ' HB2' ' A' ' 177' ' ' PHE . 43.1 p -48.23 -40.58 24.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.419 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 153' ' ' MET . . . . . 0.772 ' SD ' ' O ' ' A' ' 153' ' ' MET . 0.0 OUTLIER -67.83 -27.8 67.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.968 ' C ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -58.82 -50.94 72.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 109.281 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 1.086 HD11 ' CE2' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -55.05 -55.56 29.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 0.986 ' HA ' HG22 ' A' ' 170' ' ' VAL . . . -60.49 -51.31 70.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 156' ' ' ALA . 4.8 tmtt? -37.61 -42.93 0.58 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 158' ' ' LYS . . . . . 0.958 ' O ' ' N ' ' A' ' 163' ' ' ALA . 21.9 mmmt -81.3 -63.89 1.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 159' ' ' VAL . . . . . 1.108 HG13 ' CG2' ' A' ' 170' ' ' VAL . 2.4 p -84.58 155.07 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.247 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 1.091 ' CB ' HG11 ' A' ' 170' ' ' VAL . . . 65.46 34.76 7.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 165.36 -13.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.024 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 162' ' ' HIS . . . . . 0.629 ' CB ' ' O ' ' A' ' 158' ' ' LYS . 0.2 OUTLIER -152.69 -39.58 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.569 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 0.958 ' N ' ' O ' ' A' ' 158' ' ' LYS . . . -110.12 98.18 33.73 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 164' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' A' ' 162' ' ' HIS . 18.4 Cg_endo -74.99 99.55 1.27 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.512 1.796 . . . . 0.0 110.992 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 165' ' ' SER . . . . . 0.464 ' O ' HD22 ' A' ' 166' ' ' LEU . 1.2 m -141.77 -76.32 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.039 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.779 HD12 ' HB2' ' A' ' 168' ' ' ARG . 0.2 OUTLIER -143.57 91.86 2.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 167' ' ' LEU . . . . . 0.873 ' HB2' HD21 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -55.03 -23.18 18.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 168' ' ' ARG . . . . . 0.779 ' HB2' HD12 ' A' ' 166' ' ' LEU . 0.0 OUTLIER -58.84 -67.86 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 169' ' ' ASP . . . . . 0.473 ' O ' ' OG1' ' A' ' 173' ' ' THR . 21.7 t70 -54.33 -34.61 61.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 170' ' ' VAL . . . . . 1.108 ' CG2' HG13 ' A' ' 159' ' ' VAL . 0.4 OUTLIER -49.47 -53.55 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 171' ' ' PHE . . . . . 1.157 ' CD2' ' HB2' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -60.07 -48.64 80.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.148 . . . . 0.0 111.005 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 172' ' ' HIS . . . . . 0.672 ' O ' ' CB ' ' A' ' 176' ' ' ASN . 0.5 OUTLIER -53.17 -37.32 61.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.568 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 173' ' ' THR . . . . . 1.067 HG21 ' CB ' ' A' ' 155' ' ' LEU . 2.9 m -53.6 -51.11 64.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 110.421 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 174' ' ' THR . . . . . 0.7 ' HA ' ' HB ' ' A' ' 152' ' ' THR . 28.3 p -57.25 -68.62 0.21 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 0.0 110.395 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 175' ' ' VAL . . . . . 1.127 HG21 HG22 ' A' ' 21' ' ' VAL . 55.7 t -74.92 15.03 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 176' ' ' ASN . . . . . 0.719 ' ND2' ' CD1' ' A' ' 177' ' ' PHE . 0.1 OUTLIER -77.13 -56.68 4.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 177' ' ' PHE . . . . . 0.891 ' HB2' HG21 ' A' ' 152' ' ' THR . 5.2 m-30 -63.33 -53.84 46.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.433 1.083 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 178' ' ' ILE . . . . . 0.99 HD11 HD21 ' A' ' 90' ' ' LEU . 3.2 mt -51.06 -50.31 25.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 179' ' ' ASN . . . . . 0.418 ' N ' HG21 ' A' ' 17' ' ' THR . 12.0 t-20 -58.41 -39.65 80.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 180' ' ' GLN . . . . . 0.436 ' HG3' ' NH1' ' A' ' 124' ' ' ARG . 0.0 OUTLIER -93.76 0.25 56.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.295 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.791 ' N ' ' O ' ' A' ' 177' ' ' PHE . 5.5 t-20 -98.07 -148.49 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 182' ' ' LEU . . . . . 0.834 HD13 ' N ' ' A' ' 182' ' ' LEU . 0.0 OUTLIER -96.24 49.19 1.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.336 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 183' ' ' PHE . . . . . 1.171 ' CE1' HG21 ' A' ' 16' ' ' ILE . 0.0 OUTLIER 24.58 97.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.087 . . . . 0.0 110.991 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 184' ' ' SER . . . . . 0.437 ' H ' ' CG2' ' A' ' 178' ' ' ILE . 3.5 m 65.23 90.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.043 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 185' ' ' TYR . . . . . 0.627 ' CE1' ' OD2' ' A' ' 145' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.735 HG12 HG21 ' A' ' 83' ' ' ILE . 5.1 tp . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . 1.021 HG22 HG13 ' A' ' 175' ' ' VAL . 3.3 m -52.75 -39.47 62.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.392 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -50.52 -44.12 56.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 23' ' ' GLY . 4.2 mm? -64.8 -30.62 71.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.139 ' CD1' HD22 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -59.46 -49.13 78.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.88 ' H ' HG21 ' A' ' 175' ' ' VAL . 0.4 OUTLIER -54.94 -58.28 4.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.793 ' CD2' ' HA3' ' A' ' 39' ' ' GLY . 5.1 t80 -61.62 -29.76 70.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.978 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -75.68 -35.43 46.17 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 1.236 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 7.3 t80 -52.58 -58.71 5.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 0.748 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.931 HD22 ' CE1' ' A' ' 171' ' ' PHE . 0.3 OUTLIER -58.5 -41.05 84.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.256 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.804 ' HB2' HD12 ' A' ' 35' ' ' LEU . 1.6 tt0 -54.45 -34.05 60.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.575 ' CB ' ' O ' ' A' ' 88' ' ' ARG . 3.4 t -70.68 -99.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.975 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.425 ' N ' ' OG ' ' A' ' 27' ' ' SER . 10.2 t -136.41 19.37 3.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 110.049 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.646 ' CA ' ' HB1' ' A' ' 91' ' ' ALA . . . -57.33 -99.54 0.01 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.525 1.141 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.659 ' SG ' ' HB1' ' A' ' 160' ' ' ALA . 0.9 OUTLIER -97.94 -96.3 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.515 ' O ' ' N ' ' A' ' 34' ' ' GLU . 9.2 p -146.54 153.03 39.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.371 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.35 -53.63 4.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 110.335 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.866 ' O ' HG23 ' A' ' 37' ' ' VAL . 35.5 tt0 -58.72 -27.83 65.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.713 ' C ' HD23 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -66.28 -56.76 9.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 110.326 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 1.062 HD23 ' N ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -47.56 -32.31 5.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 1.062 ' N ' HD23 ' A' ' 35' ' ' LEU . 1.1 tp10 -69.95 -46.92 64.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.866 HG23 ' O ' ' A' ' 33' ' ' GLN . 2.2 t -64.38 -57.85 9.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 1.072 ' HB2' ' CD2' ' A' ' 171' ' ' PHE . 5.2 mt -67.4 -40.42 85.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.793 ' HA3' ' CD2' ' A' ' 22' ' ' PHE . . . -47.94 -54.05 12.79 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.556 ' HG3' ' O ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.77 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.3 mt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.759 ' O ' HG22 ' A' ' 86' ' ' ILE . 48.7 mt -52.07 -43.6 37.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.573 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 37.9 m80 -63.0 -33.38 75.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.581 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.43 ' HA ' ' NH2' ' A' ' 88' ' ' ARG . 1.5 t-20 -59.0 -53.18 61.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.759 HG22 ' O ' ' A' ' 83' ' ' ILE . 7.0 tp -62.15 -31.31 51.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.968 ' HB1' ' HA ' ' A' ' 20' ' ' LEU . . . -54.05 -48.56 70.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.575 ' O ' ' CB ' ' A' ' 27' ' ' SER . 2.6 mtm105 -64.6 -49.19 72.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.335 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 1.111 ' O ' HG23 ' A' ' 93' ' ' ILE . 16.4 t-80 -51.69 -19.87 1.8 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.583 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 1.139 HD22 ' CD1' ' A' ' 20' ' ' LEU . 1.4 tp -54.08 -66.73 0.34 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 1.236 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -56.96 -41.9 79.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.2 -43.5 67.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.331 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 1.111 HG23 ' O ' ' A' ' 89' ' ' HIS . 1.4 pt -69.04 -27.36 35.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.433 ' N ' HG13 ' A' ' 93' ' ' ILE . . . -60.32 -56.48 24.25 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.514 1.134 . . . . 0.0 111.022 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -67.02 -49.77 64.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 0.781 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.484 ' HG3' ' N ' ' A' ' 97' ' ' MET . 0.4 OUTLIER -57.26 -40.35 77.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 110.283 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.928 ' HB3' HD12 ' A' ' 101' ' ' ILE . 1.6 mmt -55.11 -50.11 70.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -40.48 -28.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.443 ' N ' ' C ' ' A' ' 97' ' ' MET . 15.1 t60 -55.07 -47.13 75.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.605 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.457 ' N ' ' O ' ' A' ' 97' ' ' MET . 0.7 OUTLIER -145.04 86.6 1.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.928 HD12 ' HB3' ' A' ' 97' ' ' MET . 0.1 OUTLIER -141.87 102.71 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.956 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 4.1 tm0? 162.09 47.64 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.956 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.2 Cg_endo -75.01 -15.36 20.76 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.446 1.761 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.75 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 1.5 m -161.92 8.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.39 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.75 ' HB2' ' O ' ' A' ' 104' ' ' THR . 0.2 OUTLIER 99.85 39.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.113 . . . . 0.0 109.288 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 1.106 HG12 ' CE2' ' A' ' 138' ' ' PHE . 4.6 m -57.25 -75.05 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.94 ' H ' HG23 ' A' ' 106' ' ' VAL . 42.1 ptt85 -44.68 -45.9 9.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.665 ' O ' ' HB3' ' A' ' 112' ' ' GLN . 1.4 tt0 -68.09 -30.05 69.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.835 ' C ' HD13 ' A' ' 109' ' ' LEU . 0.9 OUTLIER -65.58 -73.16 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 1.104 ' O ' ' CD2' ' A' ' 113' ' ' PHE . . . -53.91 -48.41 70.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.733 ' HB3' ' O ' ' A' ' 107' ' ' ARG . . . -63.3 -15.97 58.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.672 ' CG ' ' O ' ' A' ' 109' ' ' LEU . 1.9 pt20 -59.06 -49.98 75.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 1.104 ' CD2' ' O ' ' A' ' 110' ' ' ALA . 11.9 p90 -67.42 -46.83 72.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 111.03 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.806 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 1.6 ptt? . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.691 ' HA ' HD11 ' A' ' 127' ' ' LEU . 3.5 mtp180 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.482 ' O ' ' N ' ' A' ' 129' ' ' LYS . 12.0 p-10 -67.0 -38.61 86.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.546 ' HB3' ' CD1' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -52.96 -56.06 18.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 108.279 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.864 HD12 ' ND2' ' A' ' 176' ' ' ASN . 0.0 OUTLIER -53.84 -63.33 1.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.55 ' HB1' ' CD ' ' A' ' 180' ' ' GLN . . . -50.2 -34.09 21.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 125' ' ' ASN . 0.0 OUTLIER -58.27 -29.51 65.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.983 ' O ' HG12 ' A' ' 134' ' ' VAL . . . -72.75 -41.27 65.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 1.011 HD12 ' CD2' ' A' ' 177' ' ' PHE . 0.1 OUTLIER -42.92 -50.23 5.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.825 ' O ' HG23 ' A' ' 136' ' ' THR . 6.4 m-20 -69.83 -42.49 73.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.796 ' HB3' HD11 ' A' ' 109' ' ' LEU . 3.6 mm-40 -57.31 -60.82 3.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 1.039 HG23 ' CE2' ' A' ' 138' ' ' PHE . 0.1 OUTLIER -57.0 -33.42 42.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' A' ' 135' ' ' LYS . 9.8 ttpt -81.16 2.5 27.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.825 HG23 ' O ' ' A' ' 132' ' ' ASP . 2.8 p -117.42 -16.44 10.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 110.431 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.726 ' HB3' ' CD1' ' A' ' 138' ' ' PHE . . . -104.07 -53.14 2.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 1.106 ' CE2' HG12 ' A' ' 106' ' ' VAL . 0.1 OUTLIER -124.87 62.71 36.66 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.712 ' C ' ' HB2' ' A' ' 144' ' ' ASN . 18.2 Cg_endo -75.04 158.66 41.91 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.495 1.787 . . . . 0.0 110.958 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 140' ' ' ARG . . . . . 0.769 ' N ' ' CB ' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 163.34 -167.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.268 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 141' ' ' ASP . . . . . 0.625 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 1.7 m-20 -85.09 -105.08 0.05 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 142' ' ' MET . . . . . 0.456 ' HA ' ' OH ' ' A' ' 185' ' ' TYR . 4.5 mtp -66.31 -31.88 72.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -65.08 -61.92 1.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' ASN . . . . . 0.769 ' CB ' ' N ' ' A' ' 140' ' ' ARG . 1.8 t30 -67.05 -56.41 10.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 145' ' ' ASP . . . . . 0.717 ' O ' HD12 ' A' ' 149' ' ' LEU . 95.2 m-20 -38.45 -55.17 1.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.44 ' HB2' ' HH ' ' A' ' 185' ' ' TYR . 12.6 ttpt -66.1 -31.91 73.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.161 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.738 ' O ' ' CG1' ' A' ' 150' ' ' ILE . . . -61.66 -46.88 87.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 148' ' ' MET . . . . . 0.897 ' HA ' ' HG2' ' A' ' 151' ' ' MET . 20.0 mtm -58.79 -45.56 89.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.772 ' O ' HG22 ' A' ' 152' ' ' THR . 1.4 mp -58.94 -53.21 60.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 0.738 ' CG1' ' O ' ' A' ' 147' ' ' ALA . 36.3 pt -51.58 -24.46 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 151' ' ' MET . . . . . 0.897 ' HG2' ' HA ' ' A' ' 148' ' ' MET . 0.1 OUTLIER -55.57 -56.93 14.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 111.018 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 152' ' ' THR . . . . . 1.282 ' HG1' ' C ' ' A' ' 173' ' ' THR . 1.0 OUTLIER -60.91 -47.26 87.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.453 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 153' ' ' MET . . . . . 0.72 ' CE ' HD11 ' A' ' 93' ' ' ILE . 14.0 mtt -59.2 -28.62 66.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 111.03 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.953 ' C ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -58.6 -51.54 69.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 1.138 ' O ' HG23 ' A' ' 159' ' ' VAL . 5.0 mp -51.4 -60.03 3.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.252 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 0.826 ' HA ' HG22 ' A' ' 170' ' ' VAL . . . -54.63 -56.69 16.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.741 ' HA ' ' CB ' ' A' ' 161' ' ' SER . 1.3 tmtt? -46.64 -44.7 18.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 158' ' ' LYS . . . . . 0.607 ' O ' ' CB ' ' A' ' 162' ' ' HIS . 5.8 mptt -81.25 -43.67 18.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 159' ' ' VAL . . . . . 1.138 HG23 ' O ' ' A' ' 155' ' ' LEU . 15.5 t -72.42 -127.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.659 ' HB1' ' SG ' ' A' ' 30' ' ' CYS . . . -27.3 -61.99 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.256 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 161' ' ' SER . . . . . 0.741 ' CB ' ' HA ' ' A' ' 157' ' ' LYS . 0.3 OUTLIER -51.23 -11.54 0.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.166 . . . . 0.0 109.978 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 162' ' ' HIS . . . . . 0.966 ' N ' ' O ' ' A' ' 159' ' ' VAL . 0.2 OUTLIER -151.75 -51.64 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.636 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 1.075 ' HB3' ' HA ' ' A' ' 159' ' ' VAL . . . -106.31 101.49 35.28 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 164' ' ' PRO . . . . . 0.435 ' HD3' ' O ' ' A' ' 162' ' ' HIS . 18.5 Cg_endo -74.98 46.52 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.472 1.775 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 3.1 m -97.66 -15.43 20.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.043 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.578 ' HB3' ' HB2' ' A' ' 169' ' ' ASP . 2.2 mp -144.01 117.01 8.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 167' ' ' LEU . . . . . 0.867 ' C ' HD22 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -95.12 -81.71 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 168' ' ' ARG . . . . . 0.65 ' N ' HD22 ' A' ' 38' ' ' LEU . 21.7 ptt180 -53.89 -40.77 66.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 0.0 110.325 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 169' ' ' ASP . . . . . 0.578 ' HB2' ' HB3' ' A' ' 166' ' ' LEU . 0.0 OUTLIER -60.2 -44.3 95.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 170' ' ' VAL . . . . . 0.826 HG22 ' HA ' ' A' ' 156' ' ' ALA . 1.2 t -52.53 -58.81 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 171' ' ' PHE . . . . . 1.072 ' CD2' ' HB2' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -51.87 -53.32 41.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.434 1.084 . . . . 0.0 111.007 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 172' ' ' HIS . . . . . 0.654 ' O ' ' CB ' ' A' ' 176' ' ' ASN . 0.5 OUTLIER -51.06 -36.71 41.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.552 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 173' ' ' THR . . . . . 1.282 ' C ' ' HG1' ' A' ' 152' ' ' THR . 2.8 m -51.12 -57.69 8.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.413 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 174' ' ' THR . . . . . 0.763 ' N ' ' OG1' ' A' ' 152' ' ' THR . 24.9 p -53.15 -65.95 0.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.398 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 175' ' ' VAL . . . . . 1.021 HG13 HG22 ' A' ' 17' ' ' THR . 20.8 t -68.51 1.89 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 176' ' ' ASN . . . . . 0.864 ' ND2' HD12 ' A' ' 127' ' ' LEU . 0.0 OUTLIER -80.35 -59.4 2.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 177' ' ' PHE . . . . . 1.011 ' CD2' HD12 ' A' ' 131' ' ' LEU . 0.5 OUTLIER -57.51 -45.5 84.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 178' ' ' ILE . . . . . 0.889 HD11 HD21 ' A' ' 90' ' ' LEU . 7.7 mt -53.76 -56.8 7.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 179' ' ' ASN . . . . . 0.551 ' OD1' ' C ' ' A' ' 179' ' ' ASN . 0.7 OUTLIER -60.32 -36.48 78.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 180' ' ' GLN . . . . . 0.55 ' CD ' ' HB1' ' A' ' 128' ' ' ALA . 4.0 mm-40 -81.27 -13.72 58.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.686 ' N ' ' O ' ' A' ' 177' ' ' PHE . 36.3 t30 -102.4 -151.2 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 182' ' ' LEU . . . . . 0.561 ' H ' ' CG ' ' A' ' 181' ' ' ASN . 0.0 OUTLIER -94.29 52.71 1.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 183' ' ' PHE . . . . . 0.616 ' CZ ' HG21 ' A' ' 16' ' ' ILE . 0.4 OUTLIER 21.37 -89.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 184' ' ' SER . . . . . 0.611 ' N ' ' CG ' ' A' ' 183' ' ' PHE . 4.4 m -69.6 110.63 4.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.963 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 185' ' ' TYR . . . . . 0.551 ' C ' ' CD1' ' A' ' 185' ' ' TYR . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 111.05 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.609 HG21 HG21 ' A' ' 83' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.755 HG21 ' N ' ' A' ' 179' ' ' ASN . 8.9 m -55.57 -62.74 1.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.394 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.44 ' O ' HG12 ' A' ' 21' ' ' VAL . 52.9 t0 -46.0 -35.61 4.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.874 HD22 ' CD2' ' A' ' 84' ' ' HIS . 0.2 OUTLIER -63.15 -32.38 73.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.107 ' CD2' HD22 ' A' ' 90' ' ' LEU . 0.9 OUTLIER -63.26 -62.6 1.59 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 1.051 HG21 ' O ' ' A' ' 171' ' ' PHE . 2.9 p -56.89 -56.77 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 1.014 ' CD1' HD12 ' A' ' 35' ' ' LEU . 0.7 OUTLIER -56.9 -40.77 76.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.962 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -74.88 -32.83 56.44 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.469 1.106 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 1.214 ' CE2' ' HA ' ' A' ' 91' ' ' ALA . 0.3 OUTLIER -56.91 -54.3 48.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 0.77 . . . . 0.0 111.007 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.931 ' HB2' ' CZ ' ' A' ' 171' ' ' PHE . 0.6 OUTLIER -55.87 -43.98 77.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.354 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.828 ' HB2' HD13 ' A' ' 35' ' ' LEU . 12.4 tm0? -61.25 -32.66 72.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.277 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.575 ' HB3' ' HB3' ' A' ' 91' ' ' ALA . 35.9 t -63.59 -88.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.964 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.0 t -143.64 29.44 1.39 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 110.008 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.462 ' HA3' ' CE1' ' A' ' 24' ' ' PHE . . . -78.67 -137.63 1.29 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.542 1.151 . . . . 0.0 111.012 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.456 ' H ' ' CD1' ' A' ' 25' ' ' LEU . 30.0 t -55.0 -98.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.487 ' O ' ' N ' ' A' ' 34' ' ' GLU . 99.6 m -142.47 152.78 43.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 110.415 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 1.045 ' O ' HD23 ' A' ' 35' ' ' LEU . 2.6 tmm_? -42.18 -59.14 1.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.343 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.498 ' O ' ' HB ' ' A' ' 37' ' ' VAL . 14.6 tt0 -53.32 -26.33 18.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.266 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.657 ' C ' HD23 ' A' ' 25' ' ' LEU . 3.2 tp10 -67.69 -52.73 34.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 1.045 HD23 ' O ' ' A' ' 32' ' ' ARG . 0.1 OUTLIER -44.71 -43.6 8.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.631 ' N ' ' HG ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -78.92 -31.69 45.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.649 ' CG1' ' N ' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -61.47 -59.45 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.996 ' CD1' HD23 ' A' ' 167' ' ' LEU . 0.1 OUTLIER -81.97 -39.36 23.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.64 ' HA3' ' O ' ' A' ' 35' ' ' LEU . . . -49.24 -52.54 22.62 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.638 ' O ' ' CG ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.534 0.784 . . . . 0.0 110.346 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.3 pt . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.609 HG21 HG21 ' A' ' 16' ' ' ILE . 14.5 mm -52.14 -41.86 34.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.874 ' CD2' HD22 ' A' ' 19' ' ' LEU . 41.0 m80 -61.35 -43.33 99.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.605 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.467 ' O ' ' CG ' ' A' ' 88' ' ' ARG . 16.7 t-20 -58.9 -49.74 76.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.562 HG22 ' O ' ' A' ' 83' ' ' ILE . 1.0 OUTLIER -63.37 -29.09 46.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.798 ' HA ' HD23 ' A' ' 20' ' ' LEU . . . -57.52 -56.43 21.96 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.525 1.141 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.467 ' CG ' ' O ' ' A' ' 85' ' ' ASN . 2.8 ptp180 -63.53 -36.32 83.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.555 ' CE1' HG13 ' A' ' 93' ' ' ILE . 3.5 t60 -61.18 -22.21 64.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.575 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 1.107 HD22 ' CD2' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -58.22 -60.65 3.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 1.214 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . . . -54.37 -55.47 28.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.581 1.175 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -52.08 -31.37 30.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.555 HG13 ' CE1' ' A' ' 89' ' ' HIS . 5.1 mt -69.12 -36.98 75.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -59.47 -51.55 58.43 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -54.12 -53.32 54.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 0.737 . . . . 0.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.469 ' CG ' ' HA ' ' A' ' 93' ' ' ILE . 12.6 pt-20 -64.97 -35.09 80.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.701 ' SD ' HG23 ' A' ' 150' ' ' ILE . 6.7 ttm -46.77 -50.64 17.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.958 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.586 ' HB2' ' HZ3' ' A' ' 157' ' ' LYS . 0.5 OUTLIER -40.79 -28.59 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.459 ' N ' ' C ' ' A' ' 97' ' ' MET . 12.9 t-160 -53.05 -43.57 66.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.587 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.472 ' N ' ' O ' ' A' ' 97' ' ' MET . 15.3 m-80 -144.3 87.48 1.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.819 HG23 ' CB ' ' A' ' 107' ' ' ARG . 1.0 OUTLIER -125.13 82.65 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.932 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 0.0 OUTLIER 153.67 52.02 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.932 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.1 Cg_endo -75.04 10.24 1.79 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.51 1.795 . . . . 0.0 110.955 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.752 HG22 ' C ' ' A' ' 103' ' ' PRO . 0.0 OUTLIER 159.62 3.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.431 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.727 HD23 ' O ' ' A' ' 105' ' ' LEU . 3.1 tt 106.58 26.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 1.009 HG22 ' CD2' ' A' ' 138' ' ' PHE . 1.0 OUTLIER -62.91 -63.51 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.819 ' CB ' HG23 ' A' ' 101' ' ' ILE . 0.0 OUTLIER -52.63 -41.98 64.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 110.3 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.606 ' O ' ' HB3' ' A' ' 112' ' ' GLN . 0.0 OUTLIER -61.83 -29.98 70.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.874 ' C ' HD13 ' A' ' 109' ' ' LEU . 0.7 OUTLIER -62.03 -73.85 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 1.131 ' O ' ' CD2' ' A' ' 113' ' ' PHE . . . -55.03 -47.83 74.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.595 ' O ' ' CG ' ' A' ' 114' ' ' MET . . . -61.84 -13.79 27.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.747 ' HG2' ' N ' ' A' ' 113' ' ' PHE . 1.4 pt20 -62.12 -47.4 84.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 110.324 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 1.131 ' CD2' ' O ' ' A' ' 110' ' ' ALA . 7.7 p90 -66.41 -42.41 87.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.848 ' HG3' ' O ' ' A' ' 114' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.759 ' HA ' HD11 ' A' ' 127' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.443 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 76.5 m-20 -68.38 -43.27 77.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.461 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 7.8 m -53.37 -55.37 25.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 108.279 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 1.045 HD13 ' HA ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -52.43 -70.1 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -46.89 -33.52 4.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.461 ' HB2' ' O ' ' A' ' 126' ' ' CYS . 5.3 mttp -62.49 -24.22 67.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 1.108 ' O ' HG12 ' A' ' 134' ' ' VAL . . . -75.16 -39.53 60.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.761 ' N ' ' CZ ' ' A' ' 177' ' ' PHE . 0.1 OUTLIER -49.08 -47.23 45.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.821 ' O ' HG23 ' A' ' 136' ' ' THR . 0.0 OUTLIER -71.07 -41.38 70.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.652 ' HB3' HD11 ' A' ' 109' ' ' LEU . 0.1 OUTLIER -67.52 -59.6 3.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.1 . . . . 0.0 110.345 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 1.108 HG12 ' O ' ' A' ' 130' ' ' ALA . 6.4 p -48.8 -35.56 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.635 ' O ' ' CD ' ' A' ' 139' ' ' PRO . 8.8 ttpt -75.43 -62.16 1.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.821 HG23 ' O ' ' A' ' 132' ' ' ASP . 17.1 p -44.86 -25.21 0.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.417 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.539 ' C ' ' HD3' ' A' ' 139' ' ' PRO . . . -96.54 -43.84 7.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 1.009 ' CD2' HG22 ' A' ' 106' ' ' VAL . 0.1 OUTLIER -124.79 61.8 32.39 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 110.996 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.657 ' C ' ' HB2' ' A' ' 144' ' ' ASN . 18.4 Cg_endo -75.0 147.98 34.67 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.452 1.764 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 140' ' ' ARG . . . . . 0.741 ' N ' ' CB ' ' A' ' 144' ' ' ASN . 0.1 OUTLIER 165.73 -170.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.284 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 141' ' ' ASP . . . . . 0.665 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 13.6 m-20 -88.39 -104.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 142' ' ' MET . . . . . 0.524 ' CG ' ' OH ' ' A' ' 185' ' ' TYR . 4.3 ttt -65.74 -32.07 73.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 21.4 mp0 -67.12 -62.67 1.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.262 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' ASN . . . . . 0.741 ' CB ' ' N ' ' A' ' 140' ' ' ARG . 1.5 t-20 -65.65 -58.95 4.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 145' ' ' ASP . . . . . 0.665 ' CB ' ' O ' ' A' ' 141' ' ' ASP . 50.6 t0 -40.35 -52.4 2.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.532 ' O ' HD13 ' A' ' 150' ' ' ILE . 2.9 ttmt -68.29 -28.8 67.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.16 . . . . 0.0 109.268 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.583 ' N ' ' O ' ' A' ' 144' ' ' ASN . . . -62.58 -57.29 11.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 148' ' ' MET . . . . . 0.744 ' SD ' HD13 ' A' ' 131' ' ' LEU . 0.4 OUTLIER -54.06 -48.06 70.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 110.983 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.743 ' N ' ' HG3' ' A' ' 148' ' ' MET . 0.2 OUTLIER -55.06 -41.94 72.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.132 . . . . 0.0 109.327 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 0.701 HG23 ' SD ' ' A' ' 97' ' ' MET . 0.6 OUTLIER -56.32 -30.43 30.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.249 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 151' ' ' MET . . . . . 0.852 ' O ' HD12 ' A' ' 155' ' ' LEU . 2.5 mmm -61.8 -52.71 63.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 110.998 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 152' ' ' THR . . . . . 0.894 HG23 ' HA ' ' A' ' 174' ' ' THR . 0.6 OUTLIER -51.53 -53.98 32.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.44 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 153' ' ' MET . . . . . 0.518 ' N ' ' CG2' ' A' ' 152' ' ' THR . 0.3 OUTLIER -67.15 -24.77 65.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.947 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 1.074 ' C ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -56.71 -58.49 7.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 1.072 HD21 ' CZ ' ' A' ' 113' ' ' PHE . 5.1 mp -49.22 -47.12 46.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 1.08 ' O ' ' O ' ' A' ' 159' ' ' VAL . . . -64.48 -53.17 52.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.586 ' HZ3' ' HB2' ' A' ' 98' ' ' ASP . 0.0 OUTLIER -44.87 -45.68 10.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 158' ' ' LYS . . . . . 0.878 ' O ' ' N ' ' A' ' 163' ' ' ALA . 28.3 mmmt -80.45 -42.5 22.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 159' ' ' VAL . . . . . 1.08 ' O ' ' O ' ' A' ' 156' ' ' ALA . 61.7 t -108.47 148.7 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.783 ' HB3' ' O ' ' A' ' 159' ' ' VAL . . . 101.24 -53.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 161' ' ' SER . . . . . 0.432 ' OG ' ' O ' ' A' ' 29' ' ' GLY . 0.2 OUTLIER -117.4 -13.01 10.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 109.995 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 162' ' ' HIS . . . . . 0.564 ' HB3' ' O ' ' A' ' 158' ' ' LYS . 15.8 t-80 -121.94 -40.4 2.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.616 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 1.055 ' O ' HG13 ' A' ' 159' ' ' VAL . . . -130.12 91.5 39.01 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.346 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 51.68 2.85 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.54 1.811 . . . . 0.0 110.986 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 165' ' ' SER . . . . . 0.794 ' O ' HD12 ' A' ' 166' ' ' LEU . 10.8 m -109.21 -5.18 16.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.028 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.957 HD23 ' CB ' ' A' ' 169' ' ' ASP . 3.8 mp -141.99 128.29 19.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.259 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 167' ' ' LEU . . . . . 0.996 HD23 ' CD1' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -101.88 -94.88 0.29 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.341 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 168' ' ' ARG . . . . . 0.726 ' N ' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -51.89 -33.1 35.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.341 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 169' ' ' ASP . . . . . 0.957 ' CB ' HD23 ' A' ' 166' ' ' LEU . 1.4 m-20 -65.59 -45.94 81.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.333 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 170' ' ' VAL . . . . . 0.764 ' CG2' HG12 ' A' ' 159' ' ' VAL . 0.4 OUTLIER -56.16 -57.02 10.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 171' ' ' PHE . . . . . 1.051 ' O ' HG21 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -64.26 -51.75 62.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 110.977 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 172' ' ' HIS . . . . . 0.47 ' CB ' ' O ' ' A' ' 168' ' ' ARG . 1.8 t60 -58.53 -25.11 62.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.59 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 173' ' ' THR . . . . . 1.045 ' HA ' HD13 ' A' ' 127' ' ' LEU . 1.2 m -68.43 -44.68 74.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.423 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 174' ' ' THR . . . . . 0.894 ' HA ' HG23 ' A' ' 152' ' ' THR . 0.2 OUTLIER -63.98 -67.7 0.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.448 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 175' ' ' VAL . . . . . 1.004 HG23 ' HB ' ' A' ' 21' ' ' VAL . 1.5 t -63.13 7.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 176' ' ' ASN . . . . . 0.78 ' HB3' ' O ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -73.4 -58.36 3.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 177' ' ' PHE . . . . . 0.798 ' CE2' ' HB2' ' A' ' 151' ' ' MET . 3.8 m-30 -60.8 -47.29 87.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 178' ' ' ILE . . . . . 0.842 HG23 ' O ' ' A' ' 182' ' ' LEU . 1.9 mt -61.88 -45.69 98.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 179' ' ' ASN . . . . . 0.755 ' N ' HG21 ' A' ' 17' ' ' THR . 4.6 t30 -56.04 -39.24 71.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 180' ' ' GLN . . . . . 0.484 ' HB3' ' O ' ' A' ' 177' ' ' PHE . 9.7 tp60 -50.48 -100.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 0.0 110.337 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.47 ' C ' HD13 ' A' ' 182' ' ' LEU . 18.7 t-20 -124.16 -2.9 8.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 182' ' ' LEU . . . . . 0.842 ' O ' HG23 ' A' ' 178' ' ' ILE . 0.2 OUTLIER -95.85 40.96 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.419 1.074 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 183' ' ' PHE . . . . . 0.535 ' CZ ' ' HB ' ' A' ' 16' ' ' ILE . 5.7 t80 -32.75 -35.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.975 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 184' ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' ' 182' ' ' LEU . 24.8 t -178.36 90.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.019 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 185' ' ' TYR . . . . . 0.602 ' CD1' ' OD2' ' A' ' 145' ' ' ASP . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.433 HD13 ' HA ' ' A' ' 16' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.963 HG22 HG13 ' A' ' 175' ' ' VAL . 6.6 m -55.57 -62.34 1.75 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 110.425 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -46.63 -36.45 6.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.464 ' HG ' ' CE1' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -62.56 -32.98 74.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.091 HD21 HD22 ' A' ' 90' ' ' LEU . 1.1 tm? -65.3 -41.37 94.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.96 ' HB ' HG21 ' A' ' 175' ' ' VAL . 0.4 OUTLIER -59.8 -61.79 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.787 ' CE1' ' HB3' ' A' ' 35' ' ' LEU . 2.0 t80 -66.17 -27.27 67.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.488 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -75.56 -41.87 28.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 1.203 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 0.2 OUTLIER -55.96 -53.09 61.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 0.761 . . . . 0.0 111.026 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 1.034 HD22 ' CE1' ' A' ' 171' ' ' PHE . 6.5 tp -56.48 -44.18 80.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.68 ' CA ' HD21 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -55.94 -34.78 65.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.604 ' N ' ' HG3' ' A' ' 26' ' ' GLN . 6.1 t -63.28 -74.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 110.008 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.7 t -143.01 47.9 1.51 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.012 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.635 ' HA3' HD12 ' A' ' 25' ' ' LEU . . . -87.62 -140.63 6.74 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.517 1.136 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.541 ' HB3' ' CG ' ' A' ' 34' ' ' GLU . 34.8 t -87.07 -93.1 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.476 ' H ' ' HB2' ' A' ' 34' ' ' GLU . 2.9 p -145.25 173.59 11.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.393 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -49.4 -54.61 16.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.918 ' O ' HG23 ' A' ' 37' ' ' VAL . 9.9 tt0 -51.11 -29.44 13.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.234 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.549 ' CG ' HD21 ' A' ' 25' ' ' LEU . 3.5 tp10 -67.84 -58.49 4.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.963 ' HG ' ' HB3' ' A' ' 25' ' ' LEU . 7.2 mp -45.17 -35.61 3.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.155 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 1.1 tt0 -66.33 -50.5 63.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.267 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.918 HG23 ' O ' ' A' ' 33' ' ' GLN . 1.9 t -64.09 -58.92 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.354 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 1.005 HD21 ' HG ' ' A' ' 167' ' ' LEU . 4.7 mt -66.96 -50.53 62.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.265 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.688 ' HA3' ' O ' ' A' ' 35' ' ' LEU . . . -56.43 -54.68 34.29 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.542 1.151 . . . . 0.0 111.042 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.494 ' CB ' ' O ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.772 . . . . 0.0 110.319 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.513 HG22 ' N ' ' A' ' 83' ' ' ILE . 50.5 mm . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.513 ' N ' HG22 ' A' ' 82' ' ' ILE . 7.0 mm -61.36 -42.71 94.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.646 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 92.4 m-70 -62.86 -38.22 89.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.627 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.44 ' HB3' ' O ' ' A' ' 82' ' ' ILE . 7.0 t30 -56.9 -52.48 64.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.454 ' CG1' ' O ' ' A' ' 83' ' ' ILE . 4.3 pt -61.37 -30.39 47.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.838 ' HA ' HD23 ' A' ' 20' ' ' LEU . . . -55.45 -51.36 67.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.583 ' O ' ' CB ' ' A' ' 27' ' ' SER . 12.2 mtt180 -64.7 -44.88 88.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.499 ' O ' ' HB ' ' A' ' 93' ' ' ILE . 5.5 t60 -54.31 -22.15 11.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.613 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 1.091 HD22 HD21 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -55.88 -66.09 0.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 1.203 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -52.66 -55.29 23.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.97 -28.78 7.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.294 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.534 ' O ' ' N ' ' A' ' 97' ' ' MET . 0.1 OUTLIER -72.48 -32.25 41.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.515 ' HA2' ' CE ' ' A' ' 153' ' ' MET . . . -59.54 -51.73 57.32 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.498 1.124 . . . . 0.0 110.967 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -64.8 -51.84 60.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 0.753 . . . . 0.0 109.357 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' A' ' 99' ' ' HIS . 1.6 tp10 -61.45 -38.87 88.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.54 ' SD ' ' CD1' ' A' ' 150' ' ' ILE . 4.6 mmt -51.27 -50.54 59.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -41.31 -26.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.332 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.47 ' N ' ' C ' ' A' ' 97' ' ' MET . 3.6 t60 -57.37 -47.77 80.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.615 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.466 ' N ' ' O ' ' A' ' 97' ' ' MET . 0.7 OUTLIER -143.01 84.26 1.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.701 ' CG2' ' O ' ' A' ' 101' ' ' ILE . 0.1 OUTLIER -140.47 92.64 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.918 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 0.0 OUTLIER 151.97 52.15 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.316 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.918 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.2 Cg_endo -75.01 12.99 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.0 111.011 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.76 HG22 ' C ' ' A' ' 103' ' ' PRO . 0.0 OUTLIER 160.13 5.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.404 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.803 HD23 ' O ' ' A' ' 105' ' ' LEU . 4.6 tt 106.99 33.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.995 HG22 ' CD2' ' A' ' 138' ' ' PHE . 1.8 t -63.48 -81.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.806 ' N ' HG12 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -51.98 -32.22 32.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.321 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.429 ' CB ' ' HG ' ' A' ' 105' ' ' LEU . 2.9 mm-40 -63.11 -33.61 75.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.318 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 1.284 HD12 ' N ' ' A' ' 110' ' ' ALA . 0.0 OUTLIER -62.61 -59.89 4.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.358 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 1.284 ' N ' HD12 ' A' ' 109' ' ' LEU . . . -46.01 -58.05 3.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.776 ' HB2' HD11 ' A' ' 154' ' ' LEU . . . -60.4 -17.32 43.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.773 ' HG2' ' N ' ' A' ' 113' ' ' PHE . 0.1 OUTLIER -64.57 -44.12 91.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 1.214 ' CD2' ' O ' ' A' ' 110' ' ' ALA . 3.1 p90 -63.38 -40.27 96.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 111.049 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.857 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 1.8 ttt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.807 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 35.8 mtm180 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -47.73 -19.88 0.24 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.629 ' HB3' ' CD1' ' A' ' 113' ' ' PHE . 0.1 OUTLIER -42.11 -47.41 4.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 108.286 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 1.091 HD13 ' HA ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -54.16 -69.78 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.435 ' HB1' ' CD ' ' A' ' 180' ' ' GLN . . . -50.14 -29.58 9.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -59.61 -29.12 67.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 1.116 ' HB2' ' CE2' ' A' ' 113' ' ' PHE . . . -72.41 -47.51 48.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.842 ' HG ' HD21 ' A' ' 182' ' ' LEU . 0.1 OUTLIER -40.07 -48.83 2.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.814 ' O ' ' HB ' ' A' ' 136' ' ' THR . 0.9 OUTLIER -64.62 -52.79 55.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.715 ' O ' HG22 ' A' ' 136' ' ' THR . 13.1 mm-40 -53.77 -66.79 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 1.077 HG23 ' CE2' ' A' ' 138' ' ' PHE . 0.2 OUTLIER -53.12 -38.17 29.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.687 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 0.2 OUTLIER -80.12 13.67 2.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.814 ' HB ' ' O ' ' A' ' 132' ' ' ASP . 0.6 OUTLIER -128.93 -14.0 4.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.42 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.65 ' C ' ' HD3' ' A' ' 139' ' ' PRO . . . -102.38 -56.91 2.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 1.077 ' CE2' HG23 ' A' ' 134' ' ' VAL . 0.1 OUTLIER -124.43 47.8 2.12 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 111.0 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.699 ' HD3' ' N ' ' A' ' 138' ' ' PHE . 18.3 Cg_endo -74.95 157.54 42.91 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.464 1.771 . . . . 0.0 111.018 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 140' ' ' ARG . . . . . 0.792 ' CB ' ' HB2' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 169.61 -144.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 141' ' ' ASP . . . . . 0.529 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 1.5 m-20 -87.12 -146.83 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 142' ' ' MET . . . . . 0.573 ' O ' ' OH ' ' A' ' 185' ' ' TYR . 13.1 ttp -54.79 -31.46 58.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 111.001 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.89 -62.23 1.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.285 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 144' ' ' ASN . . . . . 0.792 ' HB2' ' CB ' ' A' ' 140' ' ' ARG . 1.0 OUTLIER -74.36 -53.72 9.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 145' ' ' ASP . . . . . 0.594 ' HA ' ' HE3' ' A' ' 148' ' ' MET . 29.0 t0 -38.98 -57.04 1.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.581 ' N ' ' OH ' ' A' ' 185' ' ' TYR . 10.7 ttmt -46.72 -30.83 2.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.724 ' HB3' ' O ' ' A' ' 144' ' ' ASN . . . -56.81 -55.03 39.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 148' ' ' MET . . . . . 0.707 ' HA ' HG21 ' A' ' 134' ' ' VAL . 7.3 ptp -53.46 -41.14 65.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.965 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.502 ' N ' ' CG ' ' A' ' 148' ' ' MET . 0.1 OUTLIER -61.33 -41.93 97.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 0.588 ' O ' ' HG3' ' A' ' 153' ' ' MET . 17.4 mt -54.49 -27.42 17.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.168 . . . . 0.0 109.343 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 151' ' ' MET . . . . . 1.016 ' HB2' ' CZ ' ' A' ' 177' ' ' PHE . 0.5 OUTLIER -62.88 -48.44 79.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 152' ' ' THR . . . . . 0.91 ' OG1' ' O ' ' A' ' 173' ' ' THR . 0.8 OUTLIER -54.15 -55.52 27.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.126 . . . . 0.0 110.388 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 153' ' ' MET . . . . . 0.588 ' HG3' ' O ' ' A' ' 150' ' ' ILE . 0.0 OUTLIER -65.79 -25.15 67.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 111.029 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.935 ' C ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -53.71 -60.06 3.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 1.002 ' HB2' HG21 ' A' ' 173' ' ' THR . 3.6 mp -50.71 -45.96 58.69 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 1.138 ' O ' ' N ' ' A' ' 160' ' ' ALA . . . -60.55 -64.59 0.9 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.608 ' O ' ' HB2' ' A' ' 162' ' ' HIS . 0.0 OUTLIER -44.67 -36.85 3.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.256 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 158' ' ' LYS . . . . . 0.826 ' O ' ' N ' ' A' ' 163' ' ' ALA . 4.5 mmtt -81.05 -38.68 27.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 159' ' ' VAL . . . . . 0.88 HG13 ' O ' ' A' ' 163' ' ' ALA . 6.8 t -100.01 -47.73 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 1.138 ' N ' ' O ' ' A' ' 156' ' ' ALA . . . -24.08 -69.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.92 -6.55 5.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 0.0 109.975 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 162' ' ' HIS . . . . . 0.656 ' CB ' ' O ' ' A' ' 158' ' ' LYS . 1.8 m-70 -87.17 -41.99 13.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 109.589 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 0.88 ' O ' HG13 ' A' ' 159' ' ' VAL . . . -132.23 89.61 36.85 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 49.26 2.21 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.462 1.769 . . . . 0.0 111.033 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 165' ' ' SER . . . . . 0.598 ' O ' HD22 ' A' ' 166' ' ' LEU . 0.9 OUTLIER -94.71 -24.34 17.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.986 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.742 HD12 ' HB2' ' A' ' 169' ' ' ASP . 0.3 OUTLIER -142.85 118.1 10.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 167' ' ' LEU . . . . . 1.005 ' HG ' HD21 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -85.93 -77.04 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 168' ' ' ARG . . . . . 0.501 ' HG3' ' N ' ' A' ' 169' ' ' ASP . 0.4 OUTLIER -51.11 -39.96 57.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.289 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 169' ' ' ASP . . . . . 0.742 ' HB2' HD12 ' A' ' 166' ' ' LEU . 0.1 OUTLIER -59.96 -39.9 87.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 170' ' ' VAL . . . . . 0.892 ' CG1' HD13 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -52.21 -56.64 5.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 171' ' ' PHE . . . . . 1.034 ' CE1' HD22 ' A' ' 25' ' ' LEU . 1.1 m-30 -61.77 -52.15 65.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 172' ' ' HIS . . . . . 0.575 ' O ' ' CB ' ' A' ' 176' ' ' ASN . 4.7 t60 -52.22 -35.84 50.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.565 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 173' ' ' THR . . . . . 1.091 ' HA ' HD13 ' A' ' 127' ' ' LEU . 26.5 m -61.05 -52.29 65.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 110.38 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 174' ' ' THR . . . . . 0.904 ' HA ' HG23 ' A' ' 152' ' ' THR . 40.2 p -59.46 -64.1 1.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.387 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 175' ' ' VAL . . . . . 0.963 HG13 HG22 ' A' ' 17' ' ' THR . 2.1 t -66.24 -0.14 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 176' ' ' ASN . . . . . 0.846 ' HB3' ' O ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -72.18 -59.35 2.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 177' ' ' PHE . . . . . 1.016 ' CZ ' ' HB2' ' A' ' 151' ' ' MET . 5.8 m-85 -52.04 -44.31 64.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 178' ' ' ILE . . . . . 0.806 ' CG2' HG23 ' A' ' 17' ' ' THR . 2.3 mt -63.24 -54.81 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 179' ' ' ASN . . . . . 0.549 ' C ' ' ND2' ' A' ' 179' ' ' ASN . 0.1 OUTLIER -53.88 -35.38 61.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 180' ' ' GLN . . . . . 0.596 ' HB2' ' O ' ' A' ' 177' ' ' PHE . 26.2 mm-40 -51.26 -101.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.583 1.177 . . . . 0.0 110.29 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.563 ' C ' HD13 ' A' ' 182' ' ' LEU . 17.5 t-20 -119.19 -5.33 10.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 182' ' ' LEU . . . . . 0.881 HD13 ' N ' ' A' ' 182' ' ' LEU . 0.0 OUTLIER -93.67 22.75 5.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 183' ' ' PHE . . . . . 0.586 ' N ' ' O ' ' A' ' 178' ' ' ILE . 1.3 t80 -35.28 -31.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 184' ' ' SER . . . . . 0.511 ' N ' ' O ' ' A' ' 182' ' ' LEU . 0.0 OUTLIER -154.55 119.32 4.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.051 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 185' ' ' TYR . . . . . 0.581 ' OH ' ' N ' ' A' ' 146' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.823 HD12 ' CG2' ' A' ' 83' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . 1.005 HG22 HG13 ' A' ' 175' ' ' VAL . 5.3 m -49.6 -43.34 46.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.394 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.97 -39.31 59.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.559 ' O ' ' N ' ' A' ' 23' ' ' GLY . 1.2 mm? -64.23 -29.84 70.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.095 HD21 HD22 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -63.1 -49.4 74.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.956 ' HB ' HG21 ' A' ' 175' ' ' VAL . 0.5 OUTLIER -58.29 -62.46 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 1.039 ' CE1' HD12 ' A' ' 35' ' ' LEU . 0.9 OUTLIER -62.18 -32.8 73.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -75.64 -34.73 48.49 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.12 . . . . 0.0 111.041 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 1.262 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 5.6 t80 -52.86 -58.73 5.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.788 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.876 ' HB2' ' CZ ' ' A' ' 171' ' ' PHE . 0.5 OUTLIER -57.05 -43.16 81.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.713 ' HB2' HD13 ' A' ' 35' ' ' LEU . 17.0 tt0 -54.05 -33.73 58.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.536 ' CB ' ' O ' ' A' ' 88' ' ' ARG . 0.6 OUTLIER -68.03 -93.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.972 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.8 41.67 1.31 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.023 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.578 ' HA3' HD12 ' A' ' 25' ' ' LEU . . . -78.78 -119.2 0.25 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.445 ' HB3' ' HG2' ' A' ' 34' ' ' GLU . 49.7 t -77.68 -93.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 34' ' ' GLU . 0.6 OUTLIER -141.62 150.73 42.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 110.405 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.989 ' O ' HD23 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -42.71 -55.17 3.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 110.327 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -55.0 -26.14 34.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.711 ' C ' HD23 ' A' ' 25' ' ' LEU . 6.6 tp10 -68.45 -55.78 10.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 1.039 HD12 ' CE1' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -44.53 -36.51 3.01 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.484 ' N ' ' HG ' ' A' ' 35' ' ' LEU . 14.5 tm-20 -71.25 -46.28 61.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.81 HG13 HD23 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -61.0 -57.68 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 1.089 HD21 ' HB2' ' A' ' 167' ' ' LEU . 11.4 mt -69.22 -42.01 76.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.575 ' HA3' ' CD1' ' A' ' 22' ' ' PHE . . . -46.76 -41.81 13.85 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.566 0.803 . . . . 0.0 110.279 -179.994 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 27.2 mm . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.823 ' CG2' HD12 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -52.33 -32.36 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.676 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 59.0 m-70 -63.64 -60.18 3.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.565 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.428 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 15.8 t-20 -53.76 -47.14 70.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.572 HG22 HD13 ' A' ' 83' ' ' ILE . 0.1 OUTLIER -62.46 -30.27 48.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.329 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.942 ' HA ' HD22 ' A' ' 20' ' ' LEU . . . -56.43 -60.75 3.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.536 ' O ' ' CB ' ' A' ' 27' ' ' SER . 4.5 ptt85 -64.71 -37.68 88.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.411 ' HB3' ' HA ' ' A' ' 86' ' ' ILE . 19.2 t-160 -53.97 -24.19 15.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.602 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 1.095 HD22 HD21 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -54.66 -60.83 2.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 1.262 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -53.14 -56.27 17.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -49.95 -28.87 7.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.113 . . . . 0.0 110.29 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.613 HG22 ' O ' ' A' ' 90' ' ' LEU . 0.1 OUTLIER -70.8 -36.02 62.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.08 . . . . 0.0 109.286 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -58.56 -53.28 47.3 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.413 ' O ' ' OD1' ' A' ' 98' ' ' ASP . 22.3 t70 -61.29 -52.66 63.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 0.745 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -37.69 79.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.557 ' SD ' ' O ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -51.12 -49.36 60.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 111.017 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 99' ' ' HIS . 1.3 p-10 -38.55 -30.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.464 ' N ' ' O ' ' A' ' 97' ' ' MET . 25.6 t60 -54.66 -49.38 70.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.142 . . . . 0.0 109.615 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.494 ' N ' ' O ' ' A' ' 97' ' ' MET . 39.5 t-20 -146.49 87.62 1.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.356 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.632 HG22 ' O ' ' A' ' 101' ' ' ILE . 0.3 OUTLIER -145.36 101.07 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.915 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 0.0 OUTLIER 163.11 48.86 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 110.321 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.915 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.1 Cg_endo -75.04 7.13 3.01 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.544 1.813 . . . . 0.0 110.963 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.999 ' O ' HD22 ' A' ' 105' ' ' LEU . 0.8 OUTLIER 168.43 -3.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.421 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.999 HD22 ' O ' ' A' ' 104' ' ' THR . 0.2 OUTLIER 111.83 39.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 1.158 HG12 ' CE2' ' A' ' 138' ' ' PHE . 1.8 m -50.25 -70.56 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.337 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.784 ' H ' HG23 ' A' ' 106' ' ' VAL . 7.9 ttt-85 -48.39 -43.26 33.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.261 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.41 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 38.9 mt-30 -70.28 -21.92 62.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 1.359 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 0.3 OUTLIER -69.07 -64.73 0.81 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 1.193 ' O ' ' CD2' ' A' ' 113' ' ' PHE . . . -68.08 -36.05 79.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.691 ' CB ' ' O ' ' A' ' 107' ' ' ARG . . . -63.21 -36.88 85.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 1.359 ' HG3' ' O ' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -51.68 -58.33 6.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.309 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 1.193 ' CD2' ' O ' ' A' ' 110' ' ' ALA . 1.0 OUTLIER -52.62 -43.43 65.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.825 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 9.3 tpt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.972 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.787 ' HA ' HD11 ' A' ' 127' ' ' LEU . 2.0 ttm180 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.453 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 2.4 m-20 -67.62 -43.31 80.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.475 ' HB3' ' CD1' ' A' ' 113' ' ' PHE . 0.1 OUTLIER -52.88 -57.55 9.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 108.288 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.9 HD13 ' HA ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -53.43 -63.12 1.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 0.0 109.327 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.994 ' O ' HD23 ' A' ' 131' ' ' LEU . . . -44.87 -44.06 9.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.453 ' HB2' ' O ' ' A' ' 125' ' ' ASN . 0.0 OUTLIER -62.28 -17.12 57.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 1.164 ' HB2' ' CD2' ' A' ' 113' ' ' PHE . . . -74.25 -49.45 23.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.994 HD23 ' O ' ' A' ' 128' ' ' ALA . 0.0 OUTLIER -46.9 -40.78 14.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.66 ' O ' HG23 ' A' ' 136' ' ' THR . 4.2 m-20 -65.61 -48.68 71.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.342 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.845 ' CB ' HD21 ' A' ' 109' ' ' LEU . 1.9 mm-40 -57.76 -58.78 6.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 1.133 HG23 ' CE2' ' A' ' 138' ' ' PHE . 0.2 OUTLIER -54.58 -39.36 45.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.565 ' NZ ' HD11 ' A' ' 131' ' ' LEU . 18.9 mtmt -74.71 -0.29 17.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.777 ' OG1' ' O ' ' A' ' 133' ' ' GLU . 2.4 p -116.78 -15.59 10.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.145 . . . . 0.0 110.387 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.716 ' HB3' ' CD1' ' A' ' 138' ' ' PHE . . . -101.52 -54.95 2.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 1.158 ' CE2' HG12 ' A' ' 106' ' ' VAL . 0.1 OUTLIER -125.8 64.77 51.82 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 111.015 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.62 ' C ' ' HB2' ' A' ' 144' ' ' ASN . 18.2 Cg_endo -75.0 157.15 42.93 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.499 1.789 . . . . 0.0 110.956 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 140' ' ' ARG . . . . . 0.809 ' N ' ' CB ' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 169.66 -167.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.294 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 141' ' ' ASP . . . . . 0.615 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 10.7 m-20 -86.46 -106.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 3.7 ptt? -69.21 -31.67 70.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.72 -60.25 3.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.331 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' ASN . . . . . 0.809 ' CB ' ' N ' ' A' ' 140' ' ' ARG . 1.3 t30 -67.33 -56.26 10.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 145' ' ' ASP . . . . . 0.615 ' CB ' ' O ' ' A' ' 141' ' ' ASP . 55.4 t0 -39.08 -56.41 1.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.679 ' O ' HD13 ' A' ' 150' ' ' ILE . 4.2 ttmt -64.82 -28.39 69.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.639 ' HB3' ' O ' ' A' ' 144' ' ' ASN . . . -62.05 -57.19 12.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 148' ' ' MET . . . . . 0.895 ' HE3' ' CD2' ' A' ' 177' ' ' PHE . 0.0 OUTLIER -50.54 -47.49 57.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 111.037 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.78 ' N ' ' HG3' ' A' ' 148' ' ' MET . 0.9 OUTLIER -52.7 -40.2 62.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 0.679 HD13 ' O ' ' A' ' 146' ' ' LYS . 1.3 mp -62.0 -25.13 36.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 151' ' ' MET . . . . . 1.044 ' HG2' HG11 ' A' ' 134' ' ' VAL . 0.0 OUTLIER -57.62 -57.79 11.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.969 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 152' ' ' THR . . . . . 1.161 ' OG1' ' O ' ' A' ' 173' ' ' THR . 4.8 t -57.14 -48.42 78.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.422 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 153' ' ' MET . . . . . 0.444 ' CE ' HD12 ' A' ' 150' ' ' ILE . 49.1 mtm -64.45 -28.01 69.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.972 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 1.084 ' C ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -55.67 -53.92 50.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 1.185 ' O ' HG23 ' A' ' 159' ' ' VAL . 4.8 mp -47.44 -58.72 3.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 0.927 ' HA ' HG22 ' A' ' 170' ' ' VAL . . . -54.89 -52.12 63.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.738 ' HA ' ' CB ' ' A' ' 161' ' ' SER . 0.4 OUTLIER -46.03 -49.56 16.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.263 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 158' ' ' LYS . . . . . 0.63 ' HD3' HD23 ' A' ' 154' ' ' LEU . 0.1 OUTLIER -75.79 -43.47 46.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.309 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 159' ' ' VAL . . . . . 1.185 HG23 ' O ' ' A' ' 155' ' ' LEU . 7.2 t -71.86 -129.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.722 ' H ' HG21 ' A' ' 170' ' ' VAL . . . -25.65 -62.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 161' ' ' SER . . . . . 0.738 ' CB ' ' HA ' ' A' ' 157' ' ' LYS . 0.5 OUTLIER -49.74 -12.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.003 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 162' ' ' HIS . . . . . 0.977 ' N ' ' O ' ' A' ' 159' ' ' VAL . 0.3 OUTLIER -151.53 -49.64 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.604 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 1.079 ' N ' ' O ' ' A' ' 159' ' ' VAL . . . -110.34 93.92 17.24 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 164' ' ' PRO . . . . . 0.462 ' HD3' ' O ' ' A' ' 162' ' ' HIS . 18.2 Cg_endo -74.97 61.53 5.66 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.545 1.813 . . . . 0.0 110.967 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.88 -47.23 3.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.983 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.63 HD12 ' CG1' ' A' ' 159' ' ' VAL . 0.0 OUTLIER -117.61 66.42 0.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.262 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 167' ' ' LEU . . . . . 1.089 ' HB2' HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -53.56 -70.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 168' ' ' ARG . . . . . 1.032 ' H ' HD13 ' A' ' 167' ' ' LEU . 4.8 ptt85 -46.55 -46.67 19.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.333 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 169' ' ' ASP . . . . . 0.59 ' N ' ' HG3' ' A' ' 168' ' ' ARG . 29.2 m-20 -65.07 -37.06 86.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.102 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 170' ' ' VAL . . . . . 0.927 HG22 ' HA ' ' A' ' 156' ' ' ALA . 1.2 t -51.77 -60.45 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 171' ' ' PHE . . . . . 1.031 ' CD2' ' HB2' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -53.2 -53.01 56.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 172' ' ' HIS . . . . . 0.498 ' O ' ' HB3' ' A' ' 176' ' ' ASN . 20.8 t-160 -52.16 -33.58 41.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.591 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 173' ' ' THR . . . . . 1.161 ' O ' ' OG1' ' A' ' 152' ' ' THR . 48.9 m -60.05 -55.96 27.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.58 1.175 . . . . 0.0 110.42 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 174' ' ' THR . . . . . 0.562 ' HA ' ' OG1' ' A' ' 152' ' ' THR . 17.4 p -53.35 -64.8 0.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.412 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 175' ' ' VAL . . . . . 1.005 HG13 HG22 ' A' ' 17' ' ' THR . 11.7 t -69.82 8.43 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 176' ' ' ASN . . . . . 0.826 ' HB3' ' O ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -78.88 -54.9 5.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 177' ' ' PHE . . . . . 0.895 ' CD2' ' HE3' ' A' ' 148' ' ' MET . 0.8 OUTLIER -59.32 -52.78 64.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 178' ' ' ILE . . . . . 0.791 HD12 ' HA ' ' A' ' 175' ' ' VAL . 1.8 mt -51.66 -51.51 26.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -56.96 -39.93 75.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -92.87 2.93 56.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 1.1 ' ND2' HD22 ' A' ' 182' ' ' LEU . 44.6 t30 -100.4 -147.43 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 182' ' ' LEU . . . . . 1.1 HD22 ' ND2' ' A' ' 181' ' ' ASN . 0.0 OUTLIER -96.67 42.36 1.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 183' ' ' PHE . . . . . 0.843 ' O ' ' CG ' ' A' ' 183' ' ' PHE . 1.7 t80 25.64 46.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 111.004 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 184' ' ' SER . . . . . 0.582 ' CB ' ' O ' ' A' ' 183' ' ' PHE . 1.7 m 153.34 132.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.103 . . . . 0.0 110.004 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 185' ' ' TYR . . . . . 0.591 ' CZ ' ' HB2' ' A' ' 146' ' ' LYS . 25.1 t80 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 111.025 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.702 HD11 ' CE1' ' A' ' 84' ' ' HIS . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.76 HG23 ' CG2' ' A' ' 178' ' ' ILE . 87.8 m -53.51 -45.99 69.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.368 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -50.84 -41.02 57.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 23' ' ' GLY . 3.9 mm? -65.12 -27.3 68.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.952 ' CG ' HD22 ' A' ' 90' ' ' LEU . 2.0 tm? -63.13 -42.75 99.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 1.135 ' HB ' HG21 ' A' ' 175' ' ' VAL . 0.4 OUTLIER -61.27 -61.68 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.845 ' CD1' ' HG ' ' A' ' 35' ' ' LEU . 3.7 t80 -61.36 -32.98 72.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -76.11 -36.14 41.54 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.452 1.095 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 1.159 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 1.9 t80 -51.85 -56.2 15.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 0.75 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 1.009 HD22 ' CE1' ' A' ' 171' ' ' PHE . 0.3 OUTLIER -58.97 -43.8 91.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.759 ' HB2' HD12 ' A' ' 35' ' ' LEU . 3.3 tt0 -54.06 -31.68 52.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.568 1.167 . . . . 0.0 110.278 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.568 ' CB ' ' O ' ' A' ' 88' ' ' ARG . 34.1 t -67.04 -96.59 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.009 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.43 33.65 1.31 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.008 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.432 ' HA3' HD12 ' A' ' 25' ' ' LEU . . . -77.42 -103.76 0.17 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.459 1.1 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.765 ' SG ' ' HB1' ' A' ' 160' ' ' ALA . 0.8 OUTLIER -88.76 -98.22 0.09 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.495 HG22 ' HG3' ' A' ' 32' ' ' ARG . 47.4 m -147.88 157.14 43.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.371 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.495 ' HG3' HG22 ' A' ' 31' ' ' THR . 0.0 OUTLIER -44.34 -53.03 7.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.296 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -59.55 -27.4 66.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.282 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.697 ' C ' HD23 ' A' ' 25' ' ' LEU . 2.0 tp10 -67.6 -55.01 15.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.1 . . . . 0.0 110.296 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 1.094 HD23 ' N ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -48.39 -32.96 8.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 1.094 ' N ' HD23 ' A' ' 35' ' ' LEU . 26.3 tt0 -70.85 -49.26 48.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.963 HG13 HD23 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -63.76 -56.86 14.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.963 HD23 HG13 ' A' ' 37' ' ' VAL . 9.7 mt -64.59 -43.84 92.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.817 ' HA3' ' CD2' ' A' ' 22' ' ' PHE . . . -59.82 -51.96 55.81 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.48 0.753 . . . . 0.0 110.292 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.477 ' O ' ' CG1' ' A' ' 86' ' ' ILE . 0.7 OUTLIER -52.79 -46.49 51.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.712 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 69.9 m80 -61.4 -36.69 81.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.646 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.525 ' O ' ' CG ' ' A' ' 88' ' ' ARG . 3.3 t30 -55.51 -51.26 67.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.477 ' CG1' ' O ' ' A' ' 83' ' ' ILE . 2.5 pt -63.19 -27.39 43.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.901 ' HA ' HD23 ' A' ' 20' ' ' LEU . . . -55.51 -55.92 26.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.568 ' O ' ' CB ' ' A' ' 27' ' ' SER . 9.0 ptp180 -63.68 -40.92 98.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.267 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.532 ' NE2' ' CD1' ' A' ' 93' ' ' ILE . 11.8 t-160 -58.64 -18.73 32.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.584 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.952 HD22 ' CG ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -61.0 -67.36 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 1.159 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -48.93 -54.53 15.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.418 ' HB2' ' OG ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -51.91 -27.12 11.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.532 ' CD1' ' NE2' ' A' ' 89' ' ' HIS . 1.1 tp -69.29 -36.89 74.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.73 -54.82 30.9 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -63.1 -49.22 75.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 0.776 . . . . 0.0 109.327 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -60.66 -45.14 95.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.627 ' HG3' HD11 ' A' ' 150' ' ' ILE . 15.0 mmm -54.58 -30.37 54.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.102 . . . . 0.0 111.039 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 97' ' ' MET . 44.4 t0 -37.36 -32.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 97' ' ' MET . 0.6 OUTLIER -51.82 -48.68 63.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.605 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 97' ' ' MET . 1.2 t-20 -144.6 86.57 1.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.867 HG23 ' O ' ' A' ' 101' ' ' ILE . 0.7 OUTLIER -117.13 54.5 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.673 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 0.0 OUTLIER 157.26 58.59 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.365 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.673 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.3 Cg_endo -75.01 3.69 5.4 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.469 1.773 . . . . 0.0 110.985 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.712 ' O ' HD23 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -172.64 5.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.395 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.921 HD12 ' O ' ' A' ' 105' ' ' LEU . 0.5 OUTLIER 103.88 28.85 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 1.233 HG22 ' CE2' ' A' ' 138' ' ' PHE . 0.9 OUTLIER -64.27 -79.44 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.142 . . . . 0.0 109.305 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.925 ' N ' HG12 ' A' ' 106' ' ' VAL . 4.8 ttp180 -55.59 -21.55 17.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.328 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.468 ' O ' ' HB3' ' A' ' 112' ' ' GLN . 18.6 tt0 -65.27 -40.72 94.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 110.272 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 1.248 HD12 ' N ' ' A' ' 110' ' ' ALA . 0.2 OUTLIER -63.79 -61.32 2.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 1.248 ' N ' HD12 ' A' ' 109' ' ' LEU . . . -50.26 -53.6 27.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.43 -16.03 59.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.761 ' HG2' ' N ' ' A' ' 113' ' ' PHE . 1.1 pt20 -63.45 -46.79 84.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 1.139 ' CD2' ' O ' ' A' ' 110' ' ' ALA . 3.3 p90 -63.5 -43.17 98.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.827 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 2.0 ttm . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.663 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 48.9 ttt180 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.438 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 7.8 t-20 -68.81 -35.21 76.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.565 ' HB3' ' CD1' ' A' ' 113' ' ' PHE . 0.5 OUTLIER -48.74 -59.4 3.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 108.294 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.915 ' HA ' ' CZ ' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -51.31 -67.57 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -43.82 -33.04 1.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 125' ' ' ASN . 0.3 OUTLIER -55.79 -34.74 65.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.348 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 1.054 ' HB2' ' CD2' ' A' ' 113' ' ' PHE . . . -72.49 -38.37 68.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 1.038 HD23 ' HZ2' ' A' ' 135' ' ' LYS . 0.0 OUTLIER -48.3 -44.21 33.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 1.103 ' O ' ' OG1' ' A' ' 136' ' ' THR . 32.4 t0 -67.71 -62.11 1.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.665 ' HB3' HD13 ' A' ' 109' ' ' LEU . 3.9 mm-40 -52.01 -61.76 2.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 1.022 HG12 ' O ' ' A' ' 130' ' ' ALA . 9.6 p -58.4 -44.06 87.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 1.038 ' HZ2' HD23 ' A' ' 131' ' ' LEU . 0.4 OUTLIER -82.57 29.25 0.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 136' ' ' THR . . . . . 1.103 ' OG1' ' O ' ' A' ' 132' ' ' ASP . 35.0 p -160.34 34.33 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.351 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.646 ' C ' ' HD3' ' A' ' 139' ' ' PRO . . . -146.03 -63.11 0.32 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 1.233 ' CE2' HG22 ' A' ' 106' ' ' VAL . 0.8 OUTLIER -123.98 50.35 3.46 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.981 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.646 ' HD3' ' C ' ' A' ' 137' ' ' ALA . 18.3 Cg_endo -74.99 161.62 38.48 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.487 1.782 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 140' ' ' ARG . . . . . 0.793 ' HB2' ' CG ' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 168.26 -144.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 141' ' ' ASP . . . . . 0.596 ' O ' ' N ' ' A' ' 145' ' ' ASP . 6.9 m-20 -85.49 -147.35 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 142' ' ' MET . . . . . 0.553 ' O ' ' CB ' ' A' ' 146' ' ' LYS . 0.1 OUTLIER -52.77 -35.22 56.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.995 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.11 -62.88 1.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.272 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 144' ' ' ASN . . . . . 0.793 ' CG ' ' HB2' ' A' ' 140' ' ' ARG . 0.9 OUTLIER -76.48 -52.99 8.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 145' ' ' ASP . . . . . 0.596 ' N ' ' O ' ' A' ' 141' ' ' ASP . 36.1 t0 -41.31 -54.03 3.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.553 ' CB ' ' O ' ' A' ' 142' ' ' MET . 14.9 ttpt -53.31 -29.87 35.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.75 ' HB3' ' O ' ' A' ' 144' ' ' ASN . . . -54.27 -56.38 18.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 148' ' ' MET . . . . . 0.639 ' HA ' ' HG2' ' A' ' 151' ' ' MET . 0.0 OUTLIER -52.05 -57.42 9.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 111.023 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.714 ' O ' HG22 ' A' ' 152' ' ' THR . 4.4 mp -52.26 -38.5 58.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 0.627 HD11 ' HG3' ' A' ' 97' ' ' MET . 0.3 OUTLIER -61.52 -27.83 42.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 151' ' ' MET . . . . . 0.864 ' HB2' ' CE2' ' A' ' 177' ' ' PHE . 2.8 mmm -60.81 -59.64 5.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.964 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 152' ' ' THR . . . . . 0.946 ' OG1' ' O ' ' A' ' 173' ' ' THR . 4.8 t -54.18 -44.28 71.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.412 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 153' ' ' MET . . . . . 0.415 ' SD ' HG22 ' A' ' 93' ' ' ILE . 24.3 mtm -64.0 -32.16 73.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.954 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 1.097 ' C ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -54.68 -54.36 42.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 1.114 HD21 ' CZ ' ' A' ' 113' ' ' PHE . 5.0 mp -49.51 -57.34 7.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 1.076 ' HA ' HG22 ' A' ' 170' ' ' VAL . . . -56.16 -50.65 70.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.47 -54.64 13.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 158' ' ' LYS . . . . . 0.717 ' O ' ' N ' ' A' ' 162' ' ' HIS . 0.9 OUTLIER -75.79 -58.31 3.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 159' ' ' VAL . . . . . 1.13 HG13 ' CB ' ' A' ' 163' ' ' ALA . 58.1 t -47.07 -46.22 8.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.132 . . . . 0.0 109.309 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.765 ' HB1' ' SG ' ' A' ' 30' ' ' CYS . . . -33.12 -51.85 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.09 -10.91 13.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.575 1.172 . . . . 0.0 110.002 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 162' ' ' HIS . . . . . 0.717 ' N ' ' O ' ' A' ' 158' ' ' LYS . 13.4 t-80 -87.39 -51.2 6.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.629 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 1.13 ' CB ' HG13 ' A' ' 159' ' ' VAL . . . -116.98 79.59 10.5 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 164' ' ' PRO . . . . . 0.407 ' HD3' ' C ' ' A' ' 162' ' ' HIS . 18.3 Cg_endo -74.99 0.56 8.75 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.553 1.817 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.4 -15.55 20.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.037 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.514 HD12 ' HB1' ' A' ' 163' ' ' ALA . 1.6 mt -115.15 34.92 4.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 167' ' ' LEU . . . . . 0.955 ' HB2' HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -47.4 -53.88 12.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 168' ' ' ARG . . . . . 0.904 ' H ' HD13 ' A' ' 167' ' ' LEU . 0.5 OUTLIER -54.6 -40.38 68.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.326 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 169' ' ' ASP . . . . . 0.594 ' O ' ' OG1' ' A' ' 173' ' ' THR . 0.9 OUTLIER -66.67 -37.74 85.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 170' ' ' VAL . . . . . 1.076 HG22 ' HA ' ' A' ' 156' ' ' ALA . 1.2 t -46.99 -60.43 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 171' ' ' PHE . . . . . 1.009 ' CE1' HD22 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -58.58 -49.06 78.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 110.966 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 172' ' ' HIS . . . . . 0.567 ' O ' ' CB ' ' A' ' 176' ' ' ASN . 18.6 t60 -52.84 -30.74 35.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.592 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 173' ' ' THR . . . . . 0.994 HG21 ' HB2' ' A' ' 155' ' ' LEU . 5.7 m -62.78 -68.9 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.421 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 174' ' ' THR . . . . . 0.905 ' O ' HD12 ' A' ' 178' ' ' ILE . 0.6 OUTLIER -44.27 -58.98 2.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.37 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 175' ' ' VAL . . . . . 1.135 HG21 ' HB ' ' A' ' 21' ' ' VAL . 2.8 t -74.47 8.83 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 176' ' ' ASN . . . . . 0.875 ' HB3' ' O ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -84.3 -55.93 3.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 177' ' ' PHE . . . . . 0.948 ' O ' ' N ' ' A' ' 181' ' ' ASN . 0.6 OUTLIER -60.61 -55.77 29.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 111.01 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 178' ' ' ILE . . . . . 0.905 HD12 ' O ' ' A' ' 174' ' ' THR . 3.0 mt -45.85 -56.41 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 179' ' ' ASN . . . . . 0.611 ' OD1' ' O ' ' A' ' 176' ' ' ASN . 0.1 OUTLIER -59.28 -37.19 77.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.28 14.74 31.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.948 ' N ' ' O ' ' A' ' 177' ' ' PHE . 43.2 t30 -98.22 -140.63 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 182' ' ' LEU . . . . . 0.731 HD22 ' OD1' ' A' ' 181' ' ' ASN . 0.1 OUTLIER -94.0 30.73 1.79 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 183' ' ' PHE . . . . . 0.72 ' O ' ' CD2' ' A' ' 183' ' ' PHE . 0.1 OUTLIER 31.45 99.35 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.157 . . . . 0.0 111.025 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 184' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' A' ' 183' ' ' PHE . 0.1 OUTLIER 80.11 64.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.984 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 185' ' ' TYR . . . . . 0.63 ' C ' ' CD1' ' A' ' 185' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 111.04 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.618 ' CG2' ' CE2' ' A' ' 183' ' ' PHE . 4.5 tp . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.859 HG21 ' N ' ' A' ' 179' ' ' ASN . 4.0 m -54.74 -49.71 70.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.428 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -48.75 -40.88 30.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.543 HD12 ' CD2' ' A' ' 84' ' ' HIS . 2.5 mm? -62.81 -32.03 73.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.068 ' CD2' HD22 ' A' ' 90' ' ' LEU . 0.7 OUTLIER -64.34 -40.04 95.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 1.115 HG13 ' CD2' ' A' ' 171' ' ' PHE . 0.5 OUTLIER -61.74 -64.5 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.727 ' H ' HG12 ' A' ' 21' ' ' VAL . 1.1 t80 -62.01 -31.6 71.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -73.57 -37.57 52.56 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 1.213 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 0.6 OUTLIER -56.86 -55.29 36.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 111.012 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.875 HD22 ' CE1' ' A' ' 171' ' ' PHE . 2.2 tp -56.19 -45.2 79.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.856 HE22 HH21 ' A' ' 88' ' ' ARG . 1.4 tm0? -58.23 -31.85 67.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.652 ' HB3' ' HB3' ' A' ' 91' ' ' ALA . 18.7 t -59.17 -84.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.976 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 t -141.92 37.6 1.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.446 ' HA3' ' HA ' ' A' ' 25' ' ' LEU . . . -83.71 -123.77 0.99 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.476 1.11 . . . . 0.0 110.966 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.511 ' HB3' ' CB ' ' A' ' 34' ' ' GLU . 14.1 t -89.46 -96.65 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.549 ' O ' ' CD2' ' A' ' 35' ' ' LEU . 87.0 m -145.51 169.77 17.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.417 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.717 ' HA ' HD11 ' A' ' 35' ' ' LEU . 2.2 ttt180 -51.75 -48.33 63.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.754 ' O ' HG23 ' A' ' 37' ' ' VAL . 18.2 tt0 -57.25 -29.84 64.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.513 ' HB2' ' H ' ' A' ' 31' ' ' THR . 0.1 OUTLIER -70.61 -57.29 4.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.329 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.783 ' N ' HD23 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -49.63 -32.13 12.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -64.47 -47.89 77.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.309 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 33' ' ' GLN . 2.0 t -63.98 -57.98 9.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.982 HD21 ' HG ' ' A' ' 167' ' ' LEU . 7.5 mt -63.82 -47.36 81.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.674 ' HA3' ' CD2' ' A' ' 22' ' ' PHE . . . -51.56 -45.19 54.18 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.491 1.119 . . . . 0.0 110.967 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.2 ttt85 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.463 0.743 . . . . 0.0 110.275 179.999 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.551 ' O ' HD13 ' A' ' 82' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.501 HD12 HG12 ' A' ' 16' ' ' ILE . 5.1 pt -53.44 -47.77 58.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.568 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 59.6 m80 -60.37 -31.95 70.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.561 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -59.17 -52.14 66.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.306 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.475 ' CG1' ' O ' ' A' ' 83' ' ' ILE . 4.0 pt -61.47 -31.91 51.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.001 ' HA ' HD23 ' A' ' 20' ' ' LEU . . . -55.34 -50.42 69.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.856 HH21 HE22 ' A' ' 26' ' ' GLN . 1.0 OUTLIER -65.95 -52.58 48.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 110.329 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.585 ' CE1' HD11 ' A' ' 93' ' ' ILE . 83.3 t60 -51.8 -18.57 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.56 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 1.068 HD22 ' CD2' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -59.07 -64.18 1.03 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 1.213 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -54.44 -58.06 8.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.429 ' HB2' ' OG ' ' A' ' 27' ' ' SER . 1.0 OUTLIER -49.38 -31.28 9.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 110.306 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.97 HG23 ' SD ' ' A' ' 97' ' ' MET . 2.2 mm -70.86 -32.63 49.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.43 ' HA2' ' SD ' ' A' ' 153' ' ' MET . . . -60.16 -53.04 49.02 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.465 1.103 . . . . 0.0 110.979 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.476 ' N ' ' HD2' ' A' ' 157' ' ' LYS . 10.1 t70 -63.09 -52.76 61.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 0.759 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.63 -39.95 81.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.97 ' SD ' HG23 ' A' ' 93' ' ' ILE . 0.0 OUTLIER -51.29 -51.04 57.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.434 ' OD2' ' O ' ' A' ' 95' ' ' ASP . 0.0 OUTLIER -39.21 -30.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.447 ' N ' ' C ' ' A' ' 97' ' ' MET . 19.8 t-160 -55.58 -48.8 74.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.617 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' A' ' 97' ' ' MET . 0.7 OUTLIER -145.31 88.02 1.84 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.677 HG22 ' O ' ' A' ' 101' ' ' ILE . 0.5 OUTLIER -147.67 95.35 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.93 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 0.0 OUTLIER 159.35 49.82 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.287 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.93 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.3 Cg_endo -75.0 -18.95 18.3 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.519 1.799 . . . . 0.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.691 ' O ' ' CB ' ' A' ' 105' ' ' LEU . 1.8 p -150.04 2.75 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.39 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.691 ' CB ' ' O ' ' A' ' 104' ' ' THR . 4.6 mt 104.48 40.86 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.825 ' O ' ' HE3' ' A' ' 151' ' ' MET . 0.0 OUTLIER -50.16 -88.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.927 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.815 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 18.7 ttp180 -48.26 -22.02 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.494 ' CB ' ' HB3' ' A' ' 105' ' ' LEU . 0.7 OUTLIER -65.99 -51.21 60.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 1.226 HD12 ' N ' ' A' ' 110' ' ' ALA . 0.4 OUTLIER -67.93 -62.68 1.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 1.226 ' N ' HD12 ' A' ' 109' ' ' LEU . . . -48.07 -23.97 0.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.815 ' HB2' ' O ' ' A' ' 107' ' ' ARG . . . -72.67 -46.39 54.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 1.219 ' HG3' ' O ' ' A' ' 109' ' ' LEU . 0.6 OUTLIER -52.78 -42.78 65.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.277 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 1.238 ' CD2' ' HB2' ' A' ' 130' ' ' ALA . 0.1 OUTLIER -58.48 -42.6 87.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.893 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 111.035 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.729 HH21 ' HG2' ' A' ' 180' ' ' GLN . 9.0 ttt180 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.579 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 3.4 t-20 -65.62 -43.06 90.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.59 ' C ' ' CD1' ' A' ' 113' ' ' PHE . 0.1 OUTLIER -48.42 -60.36 2.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 108.334 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 1.051 HD13 ' HA ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -52.08 -62.19 1.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.617 ' O ' HD23 ' A' ' 131' ' ' LEU . . . -49.69 -35.42 21.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.579 ' HB2' ' O ' ' A' ' 125' ' ' ASN . 0.0 OUTLIER -60.71 -23.44 64.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 1.238 ' HB2' ' CD2' ' A' ' 113' ' ' PHE . . . -69.65 -53.49 18.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.652 ' O ' ' CB ' ' A' ' 135' ' ' LYS . 0.0 OUTLIER -45.64 -41.12 9.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.993 ' O ' HG23 ' A' ' 136' ' ' THR . 36.1 t0 -61.01 -53.68 54.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.902 ' CB ' HD13 ' A' ' 109' ' ' LEU . 1.0 OUTLIER -59.06 -60.28 4.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.999 HG12 ' O ' ' A' ' 130' ' ' ALA . 0.1 OUTLIER -55.32 -33.16 30.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.283 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.652 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 2.4 ttpt -77.95 -2.33 36.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.257 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.993 HG23 ' O ' ' A' ' 132' ' ' ASP . 19.2 p -113.01 -15.85 12.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.416 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.65 ' HB3' ' CE1' ' A' ' 138' ' ' PHE . . . -106.05 -50.37 3.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 1.121 ' CZ ' HD23 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -119.97 60.47 6.77 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 0.0 110.995 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.699 ' C ' ' HB2' ' A' ' 144' ' ' ASN . 18.4 Cg_endo -74.97 146.23 32.53 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.523 1.802 . . . . 0.0 111.019 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 140' ' ' ARG . . . . . 0.75 ' N ' ' CB ' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 161.63 -163.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 0.0 110.318 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 141' ' ' ASP . . . . . 0.714 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 6.7 m-20 -92.94 -104.28 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 142' ' ' MET . . . . . 0.603 ' HA ' ' CE2' ' A' ' 185' ' ' TYR . 0.1 OUTLIER -59.77 -31.86 70.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.108 . . . . 0.0 111.001 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 143' ' ' GLU . . . . . 0.436 ' O ' ' HB2' ' A' ' 147' ' ' ALA . 2.5 mm-40 -69.41 -62.69 1.28 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 144' ' ' ASN . . . . . 0.75 ' CB ' ' N ' ' A' ' 140' ' ' ARG . 6.1 t-20 -69.14 -59.62 2.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 145' ' ' ASP . . . . . 0.714 ' CB ' ' O ' ' A' ' 141' ' ' ASP . 11.9 t0 -38.85 -54.83 1.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.854 ' HB2' ' HZ2' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -67.01 -30.58 70.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.58 ' N ' ' O ' ' A' ' 144' ' ' ASN . . . -64.7 -61.97 1.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 148' ' ' MET . . . . . 0.648 ' HA ' HG21 ' A' ' 134' ' ' VAL . 13.1 ptp -53.19 -41.68 65.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.52 HD23 ' HE3' ' A' ' 146' ' ' LYS . 3.1 tp -61.04 -42.05 97.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 0.67 HD12 ' O ' ' A' ' 146' ' ' LYS . 0.3 OUTLIER -53.45 -28.57 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 151' ' ' MET . . . . . 1.0 ' HA ' HD23 ' A' ' 154' ' ' LEU . 3.1 mmm -62.84 -52.2 64.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 152' ' ' THR . . . . . 0.931 HG23 ' HA ' ' A' ' 174' ' ' THR . 0.6 OUTLIER -45.67 -50.87 13.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.407 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 153' ' ' MET . . . . . 0.726 ' SD ' HG22 ' A' ' 93' ' ' ILE . 23.5 ptp -69.1 -20.75 64.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 1.0 HD23 ' HA ' ' A' ' 151' ' ' MET . 0.4 OUTLIER -59.71 -55.06 39.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 1.164 ' O ' HG23 ' A' ' 159' ' ' VAL . 0.0 OUTLIER -50.81 -62.8 1.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 0.843 ' HA ' HG22 ' A' ' 170' ' ' VAL . . . -52.11 -53.83 37.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.732 ' HA ' ' CB ' ' A' ' 161' ' ' SER . 11.7 mmtt -47.14 -50.05 21.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 158' ' ' LYS . . . . . 0.656 ' O ' ' N ' ' A' ' 163' ' ' ALA . 19.3 mmmt -75.16 -44.41 46.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 159' ' ' VAL . . . . . 1.164 HG23 ' O ' ' A' ' 155' ' ' LEU . 10.5 t -69.41 -130.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.67 ' CB ' HG21 ' A' ' 170' ' ' VAL . . . -26.69 -62.19 0.08 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 161' ' ' SER . . . . . 0.732 ' CB ' ' HA ' ' A' ' 157' ' ' LYS . 0.3 OUTLIER -49.63 -12.56 0.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.993 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 162' ' ' HIS . . . . . 0.965 ' N ' ' O ' ' A' ' 159' ' ' VAL . 2.5 m-70 -152.64 -49.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.596 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 1.078 ' N ' ' O ' ' A' ' 159' ' ' VAL . . . -111.84 95.33 28.16 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 164' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 162' ' ' HIS . 18.2 Cg_endo -75.02 50.75 2.61 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.531 1.806 . . . . 0.0 111.019 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 165' ' ' SER . . . . . 0.771 ' O ' HD12 ' A' ' 166' ' ' LEU . 30.6 t -99.42 -22.69 15.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 0.0 110.012 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.771 HD12 ' O ' ' A' ' 165' ' ' SER . 5.6 mp -131.91 85.02 2.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.378 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 167' ' ' LEU . . . . . 0.982 ' HG ' HD21 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -62.46 -85.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 168' ' ' ARG . . . . . 0.499 ' HG2' ' N ' ' A' ' 169' ' ' ASP . 0.0 OUTLIER -53.98 -36.14 62.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 169' ' ' ASP . . . . . 0.595 ' HB3' HD23 ' A' ' 166' ' ' LEU . 0.5 OUTLIER -61.38 -37.6 84.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 170' ' ' VAL . . . . . 0.843 HG22 ' HA ' ' A' ' 156' ' ' ALA . 1.2 t -54.96 -62.39 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 171' ' ' PHE . . . . . 1.115 ' CD2' HG13 ' A' ' 21' ' ' VAL . 0.7 OUTLIER -51.99 -44.41 64.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 111.055 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 172' ' ' HIS . . . . . 0.519 ' O ' ' CB ' ' A' ' 176' ' ' ASN . 46.5 t60 -61.05 -32.17 71.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.576 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 173' ' ' THR . . . . . 1.084 HG22 HD23 ' A' ' 155' ' ' LEU . 21.5 m -66.93 -48.36 68.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.434 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 174' ' ' THR . . . . . 0.931 ' HA ' HG23 ' A' ' 152' ' ' THR . 0.6 OUTLIER -65.5 -61.59 2.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.437 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 175' ' ' VAL . . . . . 1.108 HG21 ' HB ' ' A' ' 21' ' ' VAL . 2.1 t -65.77 1.51 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 176' ' ' ASN . . . . . 0.785 ' CG ' HD12 ' A' ' 127' ' ' LEU . 0.0 OUTLIER -74.43 -59.97 2.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 177' ' ' PHE . . . . . 0.863 ' CZ ' ' HB2' ' A' ' 151' ' ' MET . 2.9 m-85 -51.01 -50.15 59.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.122 . . . . 0.0 111.035 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 178' ' ' ILE . . . . . 0.904 HG23 ' O ' ' A' ' 182' ' ' LEU . 3.1 mp -64.84 -46.3 92.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.461 1.1 . . . . 0.0 109.271 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 179' ' ' ASN . . . . . 0.859 ' N ' HG21 ' A' ' 17' ' ' THR . 1.8 t-20 -56.14 -35.95 67.72 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 180' ' ' GLN . . . . . 0.729 ' HG2' HH21 ' A' ' 124' ' ' ARG . 7.5 mm100 -56.71 -101.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.257 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.633 ' C ' HD13 ' A' ' 182' ' ' LEU . 65.9 t30 -121.08 -2.12 9.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 182' ' ' LEU . . . . . 0.904 ' O ' HG23 ' A' ' 178' ' ' ILE . 0.0 OUTLIER -95.83 36.35 1.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 183' ' ' PHE . . . . . 0.618 ' CE2' ' CG2' ' A' ' 16' ' ' ILE . 4.1 t80 -33.16 -35.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 111.045 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 184' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 182' ' ' LEU . 1.2 m 163.77 105.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.041 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 185' ' ' TYR . . . . . 0.603 ' CE2' ' HA ' ' A' ' 142' ' ' MET . 25.1 t80 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 111.048 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.509 HD12 ' HA ' ' A' ' 16' ' ' ILE . 6.6 tp . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . 1.059 HG23 HD11 ' A' ' 178' ' ' ILE . 0.8 OUTLIER -53.62 -64.47 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.397 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.496 ' N ' HG22 ' A' ' 17' ' ' THR . 27.4 m-20 -48.88 -36.71 17.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 23' ' ' GLY . 2.3 mm? -60.8 -30.7 70.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.157 ' CD2' HD22 ' A' ' 90' ' ' LEU . 0.6 OUTLIER -65.1 -43.9 90.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.975 ' HB ' HG21 ' A' ' 175' ' ' VAL . 0.4 OUTLIER -58.08 -63.19 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.764 ' CD2' ' HA3' ' A' ' 39' ' ' GLY . 1.2 t80 -64.45 -29.49 70.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.521 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -72.17 -38.16 59.33 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.446 1.091 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 1.262 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 1.3 t80 -55.69 -56.5 19.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 0.756 . . . . 0.0 110.997 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 1.055 HD22 ' CE1' ' A' ' 171' ' ' PHE . 6.2 tp -57.02 -47.33 81.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.543 ' HG3' ' N ' ' A' ' 27' ' ' SER . 0.3 OUTLIER -55.34 -29.68 58.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.292 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.551 ' CB ' ' O ' ' A' ' 88' ' ' ARG . 8.4 t -50.89 -66.32 0.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.998 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.4 m -103.26 -40.68 6.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.995 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.626 ' N ' ' O ' ' A' ' 25' ' ' LEU . . . 87.67 89.7 1.07 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.509 1.131 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.585 ' HB2' HD11 ' A' ' 25' ' ' LEU . 0.5 OUTLIER -71.55 -59.64 2.65 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.791 HG22 ' H ' ' A' ' 34' ' ' GLU . 0.9 OUTLIER -145.0 121.59 11.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.407 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.54 -58.93 2.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.803 ' O ' HG23 ' A' ' 37' ' ' VAL . 2.6 tt0 -57.76 -24.68 58.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 1.004 ' HB3' HD21 ' A' ' 25' ' ' LEU . 1.9 tt0 -69.17 -64.4 0.88 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.95 ' CA ' HD23 ' A' ' 25' ' ' LEU . 0.6 OUTLIER -43.87 -40.14 4.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.475 ' O ' ' O ' ' A' ' 40' ' ' ARG . 25.4 tt0 -71.96 -43.12 65.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.272 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.803 HG23 ' O ' ' A' ' 33' ' ' GLN . 45.9 t -70.01 -57.17 8.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 1.006 HD21 ' HB2' ' A' ' 167' ' ' LEU . 0.4 OUTLIER -66.64 -42.42 86.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.764 ' HA3' ' CD2' ' A' ' 22' ' ' PHE . . . -48.22 -55.0 10.98 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.475 ' O ' ' O ' ' A' ' 36' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.49 0.759 . . . . 0.0 110.358 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 43.8 mt . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 1.012 ' O ' HG22 ' A' ' 86' ' ' ILE . 23.8 pt -53.46 -50.03 51.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.63 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 63.1 m80 -61.99 -40.33 95.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.58 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -55.25 -50.53 69.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 1.012 HG22 ' O ' ' A' ' 83' ' ' ILE . 7.7 tp -58.8 -33.6 49.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.844 ' HA ' HD23 ' A' ' 20' ' ' LEU . . . -56.45 -52.91 62.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.551 ' O ' ' CB ' ' A' ' 27' ' ' SER . 2.2 mtp180 -65.79 -52.01 54.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.333 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.992 ' O ' HG23 ' A' ' 93' ' ' ILE . 13.3 t-80 -50.4 -19.73 0.92 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.112 . . . . 0.0 109.635 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 1.157 HD22 ' CD2' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -56.13 -64.66 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 1.262 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -57.85 -49.14 77.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.4 -47.15 37.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.992 HG23 ' O ' ' A' ' 89' ' ' HIS . 3.0 pt -68.94 -22.83 26.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.564 ' O ' ' HG2' ' A' ' 97' ' ' MET . . . -58.95 -54.77 35.25 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.441 1.088 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -64.26 -43.41 94.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.435 ' O ' ' CB ' ' A' ' 99' ' ' HIS . 0.5 OUTLIER -63.56 -39.18 93.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.303 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.677 ' HE2' HG21 ' A' ' 101' ' ' ILE . 2.4 ptm -51.84 -42.24 62.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 111.033 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.522 ' N ' ' HG2' ' A' ' 97' ' ' MET . 1.4 p-10 -52.4 -20.65 2.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.472 ' N ' ' OD1' ' A' ' 98' ' ' ASP . 21.8 t-80 -58.96 -53.69 55.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.614 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 23.3 p-10 -147.14 87.87 1.7 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 1.033 HD11 HD13 ' A' ' 150' ' ' ILE . 0.2 OUTLIER -139.79 97.3 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.973 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 1.1 mt-30 161.07 48.13 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.266 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.973 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.2 Cg_endo -75.0 -22.51 14.73 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.527 1.804 . . . . 0.0 111.02 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.811 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 10.9 p -146.85 1.47 0.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.417 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.811 ' HB2' ' O ' ' A' ' 104' ' ' THR . 0.0 OUTLIER 106.5 44.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 1.042 HG12 ' CE2' ' A' ' 138' ' ' PHE . 0.0 OUTLIER -54.96 -85.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.89 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 28.3 ttp85 -53.32 -14.2 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.305 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.511 ' CB ' ' HB3' ' A' ' 105' ' ' LEU . 0.1 OUTLIER -64.97 -58.42 6.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 110.298 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 1.263 ' O ' ' CG ' ' A' ' 112' ' ' GLN . 3.3 pp -66.78 -54.77 19.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 1.152 ' N ' HD12 ' A' ' 109' ' ' LEU . . . -54.12 -20.52 6.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.247 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.89 ' HB2' ' O ' ' A' ' 107' ' ' ARG . . . -76.47 -41.26 47.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 1.263 ' CG ' ' O ' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -46.18 -58.78 3.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.354 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 1.197 ' CD2' ' HB2' ' A' ' 130' ' ' ALA . 0.7 OUTLIER -63.16 -40.04 96.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.668 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 11.4 tmm? . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.996 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.901 ' HB2' HD11 ' A' ' 127' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.604 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 29.2 t-20 -67.34 -41.23 85.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.639 ' O ' ' CG ' ' A' ' 113' ' ' PHE . 32.1 p -53.87 -55.74 24.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 108.301 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 1.039 HD13 ' HB2' ' A' ' 176' ' ' ASN . 0.0 OUTLIER -52.82 -72.53 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.565 ' O ' HD23 ' A' ' 131' ' ' LEU . . . -47.87 -26.78 1.81 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.616 ' HB2' ' O ' ' A' ' 126' ' ' CYS . 0.2 OUTLIER -59.73 -31.6 69.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.138 . . . . 0.0 109.319 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 1.197 ' HB2' ' CD2' ' A' ' 113' ' ' PHE . . . -72.38 -46.74 54.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.67 HD12 ' OD1' ' A' ' 181' ' ' ASN . 0.0 OUTLIER -40.28 -46.73 2.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.728 ' O ' ' HB ' ' A' ' 136' ' ' THR . 1.1 t70 -66.72 -51.31 57.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 109.267 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.692 ' O ' HG22 ' A' ' 136' ' ' THR . 0.3 OUTLIER -53.78 -62.92 1.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.266 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 1.037 HG23 ' CD2' ' A' ' 138' ' ' PHE . 0.1 OUTLIER -55.66 -38.67 51.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.568 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 0.6 OUTLIER -78.56 8.83 4.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.728 ' HB ' ' O ' ' A' ' 132' ' ' ASP . 0.6 OUTLIER -116.51 -18.59 10.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.396 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.795 ' HB3' ' CE1' ' A' ' 138' ' ' PHE . . . -109.48 -50.59 2.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 1.042 ' CE2' HG12 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -118.44 55.93 2.5 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 111.053 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.799 ' C ' ' HB2' ' A' ' 144' ' ' ASN . 18.4 Cg_endo -74.99 163.78 34.68 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.489 1.784 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 140' ' ' ARG . . . . . 0.747 ' N ' ' CB ' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 156.87 -170.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.28 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 141' ' ' ASP . . . . . 0.641 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 40.9 m-20 -85.4 -103.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 142' ' ' MET . . . . . 0.429 ' HA ' ' CZ ' ' A' ' 185' ' ' TYR . 21.5 mtp -67.45 -32.12 72.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.55 -61.78 1.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.331 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 144' ' ' ASN . . . . . 0.799 ' HB2' ' C ' ' A' ' 139' ' ' PRO . 1.3 t30 -66.33 -54.68 21.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 145' ' ' ASP . . . . . 0.641 ' CB ' ' O ' ' A' ' 141' ' ' ASP . 31.0 m-20 -38.62 -54.29 1.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.095 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.78 -34.28 77.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.909 ' O ' HG22 ' A' ' 150' ' ' ILE . . . -60.15 -58.28 9.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 148' ' ' MET . . . . . 0.633 ' O ' ' HG3' ' A' ' 151' ' ' MET . 4.2 mtm -48.56 -53.1 19.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 111.019 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 1.034 HD21 HD21 ' A' ' 90' ' ' LEU . 0.2 OUTLIER -55.15 -43.38 74.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 1.033 HD13 HD11 ' A' ' 101' ' ' ILE . 1.6 tt -48.78 -31.05 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 151' ' ' MET . . . . . 1.059 ' O ' ' CD2' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -65.02 -56.51 12.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 152' ' ' THR . . . . . 0.939 HG21 ' HB2' ' A' ' 177' ' ' PHE . 65.6 p -41.47 -51.55 3.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.357 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 153' ' ' MET . . . . . 0.685 ' HE1' HD11 ' A' ' 93' ' ' ILE . 14.5 ptp -66.71 -26.58 67.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.992 ' C ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -61.4 -51.68 67.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 1.119 ' CB ' HG21 ' A' ' 173' ' ' THR . 0.0 OUTLIER -51.75 -52.29 49.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 1.018 ' HA ' HG22 ' A' ' 170' ' ' VAL . . . -60.82 -54.57 43.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.449 ' HB2' ' O ' ' A' ' 153' ' ' MET . 0.0 OUTLIER -45.03 -51.57 9.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 158' ' ' LYS . . . . . 0.86 ' O ' ' N ' ' A' ' 162' ' ' HIS . 29.4 mmmt -74.74 -54.29 7.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 159' ' ' VAL . . . . . 1.021 HG13 ' HB3' ' A' ' 163' ' ' ALA . 42.2 t -51.97 -56.85 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.352 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.703 ' N ' ' O ' ' A' ' 156' ' ' ALA . . . -33.58 -35.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.353 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 161' ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' ' 159' ' ' VAL . 0.4 OUTLIER -117.97 -13.25 10.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.014 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 162' ' ' HIS . . . . . 0.86 ' N ' ' O ' ' A' ' 158' ' ' LYS . 3.7 t-80 -95.06 -52.21 4.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.605 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 1.021 ' HB3' HG13 ' A' ' 159' ' ' VAL . . . -124.95 69.06 57.13 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 164' ' ' PRO . . . . . 0.475 ' HD3' ' C ' ' A' ' 162' ' ' HIS . 18.2 Cg_endo -75.03 3.68 5.42 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.456 1.766 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 89.9 p -95.64 3.07 54.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.019 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.484 HD13 ' HB2' ' A' ' 169' ' ' ASP . 0.6 OUTLIER -141.8 52.26 1.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 167' ' ' LEU . . . . . 1.006 ' HB2' HD21 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -52.11 -26.67 11.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 168' ' ' ARG . . . . . 0.69 ' H ' HD12 ' A' ' 167' ' ' LEU . 0.0 OUTLIER -62.67 -55.83 23.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 169' ' ' ASP . . . . . 0.705 ' O ' ' OG1' ' A' ' 173' ' ' THR . 1.4 t70 -56.29 -36.57 68.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 170' ' ' VAL . . . . . 1.018 HG22 ' HA ' ' A' ' 156' ' ' ALA . 0.9 OUTLIER -50.29 -63.96 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 171' ' ' PHE . . . . . 1.055 ' CE1' HD22 ' A' ' 25' ' ' LEU . 1.0 OUTLIER -56.6 -46.54 80.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 172' ' ' HIS . . . . . 0.556 ' O ' ' CB ' ' A' ' 176' ' ' ASN . 1.8 t60 -51.66 -42.83 62.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.604 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 173' ' ' THR . . . . . 1.119 HG21 ' CB ' ' A' ' 155' ' ' LEU . 1.3 m -53.91 -52.06 61.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.388 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 174' ' ' THR . . . . . 0.695 ' HA ' ' HB ' ' A' ' 152' ' ' THR . 13.5 p -56.31 -66.27 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.367 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 175' ' ' VAL . . . . . 1.04 ' HA ' HD12 ' A' ' 178' ' ' ILE . 4.0 t -74.94 14.84 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 176' ' ' ASN . . . . . 1.039 ' HB2' HD13 ' A' ' 127' ' ' LEU . 0.0 OUTLIER -78.65 -56.7 4.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 177' ' ' PHE . . . . . 1.051 ' O ' ' N ' ' A' ' 181' ' ' ASN . 8.3 m-30 -69.09 -62.49 1.36 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 178' ' ' ILE . . . . . 1.112 HD13 ' N ' ' A' ' 179' ' ' ASN . 0.0 OUTLIER -48.61 -25.79 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.14 . . . . 0.0 109.327 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 179' ' ' ASN . . . . . 1.112 ' N ' HD13 ' A' ' 178' ' ' ILE . 0.7 OUTLIER -65.73 -55.95 14.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -111.49 -10.26 14.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 1.051 ' N ' ' O ' ' A' ' 177' ' ' PHE . 60.9 t30 -97.76 -85.16 0.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 182' ' ' LEU . . . . . 0.672 HD23 ' HB2' ' A' ' 149' ' ' LEU . 0.2 OUTLIER -87.37 66.8 9.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 183' ' ' PHE . . . . . 0.473 ' HA ' ' O ' ' A' ' 178' ' ' ILE . 7.6 t80 -51.42 -16.55 0.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 111.035 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 173.43 39.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.017 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 185' ' ' TYR . . . . . 0.558 ' O ' ' CD1' ' A' ' 185' ' ' TYR . 1.5 t80 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.962 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.588 ' HB ' ' CE2' ' A' ' 183' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . 1.068 HG22 HG13 ' A' ' 175' ' ' VAL . 89.4 m -53.88 -58.27 7.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.416 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -47.76 -36.82 12.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 23' ' ' GLY . 1.1 mm? -62.22 -32.47 73.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.088 HD21 HD22 ' A' ' 90' ' ' LEU . 1.5 tm? -63.47 -40.4 97.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 1.021 HG13 ' CD2' ' A' ' 171' ' ' PHE . 0.5 OUTLIER -62.01 -64.83 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.254 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.747 ' CD2' ' CA ' ' A' ' 39' ' ' GLY . 0.4 OUTLIER -63.03 -30.56 71.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 111.046 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -72.28 -40.19 55.97 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.522 1.139 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 1.23 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 1.4 t80 -55.05 -58.15 8.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 0.756 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 1.132 HD22 ' CE1' ' A' ' 171' ' ' PHE . 5.6 tp -55.15 -43.56 74.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? -58.89 -31.73 68.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.519 ' CB ' ' O ' ' A' ' 88' ' ' ARG . 1.5 t -47.02 -66.07 0.47 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.153 . . . . 0.0 109.962 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.38 -43.9 5.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.147 . . . . 0.0 109.935 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.571 ' N ' ' O ' ' A' ' 25' ' ' LEU . . . 94.65 85.07 1.65 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.661 ' CB ' HD11 ' A' ' 25' ' ' LEU . 3.4 t -66.84 -61.03 2.16 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.865 HG22 ' H ' ' A' ' 34' ' ' GLU . 1.0 OUTLIER -144.1 123.77 13.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.428 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.7 ttt-85 -45.1 -52.58 8.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.281 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -64.03 -26.51 68.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.349 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.881 ' CG ' HD23 ' A' ' 38' ' ' LEU . 44.5 tt0 -68.63 -63.31 1.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.328 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.926 ' CA ' HD23 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -47.29 -36.69 9.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.537 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 5.3 tt0 -70.51 -55.07 9.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.76 HG13 HD23 ' A' ' 167' ' ' LEU . 3.4 p -66.2 -52.39 48.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 1.171 ' HB3' ' CD2' ' A' ' 171' ' ' PHE . 0.1 OUTLIER -65.86 -47.0 76.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.254 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.747 ' CA ' ' CD2' ' A' ' 22' ' ' PHE . . . -62.53 -53.13 43.92 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.537 ' CB ' ' O ' ' A' ' 36' ' ' GLU . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.474 0.749 . . . . 0.0 110.271 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.7 mt . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.642 ' O ' HG22 ' A' ' 86' ' ' ILE . 3.4 mt -53.7 -50.38 51.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.678 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 34.7 m-70 -61.25 -43.87 98.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.585 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.471 ' O ' ' CG ' ' A' ' 88' ' ' ARG . 0.3 OUTLIER -53.28 -48.77 68.03 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.642 HG22 ' O ' ' A' ' 83' ' ' ILE . 1.4 tp -62.41 -31.12 50.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.743 ' HB1' ' HA ' ' A' ' 20' ' ' LEU . . . -54.9 -57.82 10.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.519 ' O ' ' CB ' ' A' ' 27' ' ' SER . 1.7 ptt85 -63.06 -39.26 94.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.252 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 1.043 ' O ' HG23 ' A' ' 93' ' ' ILE . 71.3 t60 -50.98 -26.49 6.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.606 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 1.088 HD22 HD21 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -52.44 -66.26 0.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 109.257 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 1.23 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -50.81 -45.52 59.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.647 ' HG3' ' N ' ' A' ' 93' ' ' ILE . 0.1 OUTLIER -51.19 -35.43 36.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 1.043 HG23 ' O ' ' A' ' 89' ' ' HIS . 0.5 OUTLIER -70.09 -30.28 43.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.586 ' HA2' ' HE2' ' A' ' 153' ' ' MET . . . -57.83 -51.41 58.29 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.49 1.119 . . . . 0.0 110.973 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -63.17 -51.46 66.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 0.758 . . . . 0.0 109.256 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.427 ' O ' ' CB ' ' A' ' 99' ' ' HIS . 2.4 mt-10 -62.71 -42.72 99.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.264 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.786 ' HG2' HD12 ' A' ' 93' ' ' ILE . 0.0 OUTLIER -51.99 -55.45 20.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.989 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 97' ' ' MET . 11.7 t0 -38.57 -30.65 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.466 ' N ' ' C ' ' A' ' 97' ' ' MET . 17.5 t-80 -55.03 -52.97 61.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.575 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 97' ' ' MET . 22.2 p-10 -149.65 88.73 1.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.707 HG22 ' O ' ' A' ' 101' ' ' ILE . 0.3 OUTLIER -134.8 92.33 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.239 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.885 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 0.0 OUTLIER 154.05 52.19 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.885 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.3 Cg_endo -75.03 34.5 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.51 1.795 . . . . 0.0 110.989 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.928 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 1.0 OUTLIER 149.08 2.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.381 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.928 ' HB2' ' O ' ' A' ' 104' ' ' THR . 0.1 OUTLIER 103.67 38.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 1.045 HG22 ' CD2' ' A' ' 138' ' ' PHE . 1.3 t -61.52 -80.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.871 ' N ' HG12 ' A' ' 106' ' ' VAL . 9.4 ptt85 -52.59 -19.61 2.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.313 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.711 ' HB3' HD23 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -66.35 -41.62 89.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 1.278 HD12 ' N ' ' A' ' 110' ' ' ALA . 0.2 OUTLIER -60.84 -61.18 2.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.152 . . . . 0.0 109.3 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 1.278 ' N ' HD12 ' A' ' 109' ' ' LEU . . . -48.77 -54.28 15.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.595 ' HB2' HD13 ' A' ' 154' ' ' LEU . . . -62.25 -17.13 57.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.244 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.839 ' CG ' ' O ' ' A' ' 109' ' ' LEU . 2.0 pt20 -60.45 -45.7 92.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 110.241 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 1.179 ' CD2' ' O ' ' A' ' 110' ' ' ALA . 2.8 p90 -63.27 -41.95 99.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.876 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 1.9 ttp . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.113 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.459 ' HD3' ' NE2' ' A' ' 172' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.561 ' O ' ' CB ' ' A' ' 129' ' ' LYS . 1.9 t-20 -61.89 -37.87 86.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.592 ' HB3' ' CD1' ' A' ' 113' ' ' PHE . 0.1 OUTLIER -51.97 -53.77 37.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 108.287 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.807 HD22 ' CD2' ' A' ' 155' ' ' LEU . 0.1 OUTLIER -60.94 -69.71 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.443 ' HA ' HD23 ' A' ' 131' ' ' LEU . . . -44.58 -32.84 1.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.561 ' CB ' ' O ' ' A' ' 125' ' ' ASN . 0.3 OUTLIER -61.93 -27.95 69.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 1.11 ' O ' HG12 ' A' ' 134' ' ' VAL . . . -69.46 -49.46 54.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.89 HD13 HD21 ' A' ' 182' ' ' LEU . 0.4 OUTLIER -44.75 -43.43 8.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.588 ' O ' ' HB ' ' A' ' 136' ' ' THR . 0.1 OUTLIER -63.36 -53.47 52.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.658 ' O ' HG22 ' A' ' 136' ' ' THR . 7.2 mm-40 -56.95 -61.73 2.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 110.318 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 1.11 HG12 ' O ' ' A' ' 130' ' ' ALA . 0.3 OUTLIER -53.1 -37.13 26.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.142 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.561 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 0.1 OUTLIER -78.63 4.67 12.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.658 HG22 ' O ' ' A' ' 133' ' ' GLU . 0.6 OUTLIER -117.18 -20.44 9.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.406 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.842 ' HB3' ' CE1' ' A' ' 138' ' ' PHE . . . -99.92 -52.48 3.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 1.168 ' CZ ' HD23 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -116.26 60.79 2.04 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.707 ' HD3' ' C ' ' A' ' 137' ' ' ALA . 18.3 Cg_endo -75.02 149.86 37.24 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.498 1.788 . . . . 0.0 111.003 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 140' ' ' ARG . . . . . 0.787 ' N ' ' CB ' ' A' ' 144' ' ' ASN . 1.5 mtt85 164.51 -166.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 110.318 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 141' ' ' ASP . . . . . 0.666 ' O ' ' CG ' ' A' ' 145' ' ' ASP . 31.8 m-20 -87.22 -110.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 142' ' ' MET . . . . . 0.488 ' O ' ' HB2' ' A' ' 146' ' ' LYS . 0.3 OUTLIER -61.78 -31.97 72.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 111.011 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.14 -61.27 2.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.268 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 144' ' ' ASN . . . . . 0.787 ' CB ' ' N ' ' A' ' 140' ' ' ARG . 1.9 t-20 -69.82 -56.89 5.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 145' ' ' ASP . . . . . 0.717 ' HA ' ' CE2' ' A' ' 185' ' ' TYR . 26.4 m-20 -37.7 -57.81 0.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 142' ' ' MET . 0.0 OUTLIER -65.08 -28.38 69.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.888 ' HA ' HD12 ' A' ' 150' ' ' ILE . . . -60.44 -58.67 7.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.24 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 148' ' ' MET . . . . . 0.783 ' HG3' ' N ' ' A' ' 149' ' ' LEU . 0.1 OUTLIER -52.84 -43.55 66.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.895 HD22 HD11 ' A' ' 90' ' ' LEU . 3.8 mt -57.02 -40.82 77.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 0.888 HD12 ' HA ' ' A' ' 147' ' ' ALA . 14.3 mt -56.71 -28.42 27.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 151' ' ' MET . . . . . 1.098 ' O ' ' HG ' ' A' ' 154' ' ' LEU . 3.7 mmm -62.47 -58.0 9.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 152' ' ' THR . . . . . 0.868 ' OG1' ' O ' ' A' ' 173' ' ' THR . 5.3 t -51.94 -41.45 62.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.398 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 153' ' ' MET . . . . . 0.818 ' CE ' HG23 ' A' ' 150' ' ' ILE . 6.3 tmm? -68.81 -28.25 66.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 111.018 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 1.098 ' HG ' ' O ' ' A' ' 151' ' ' MET . 2.2 pp -53.46 -55.58 24.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 1.241 ' O ' HG23 ' A' ' 159' ' ' VAL . 4.7 mp -50.5 -60.27 3.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 0.737 ' HA ' HG22 ' A' ' 170' ' ' VAL . . . -56.31 -54.68 42.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.788 ' HA ' ' CB ' ' A' ' 161' ' ' SER . 1.0 OUTLIER -44.76 -43.94 8.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 158' ' ' LYS . . . . . 0.716 ' O ' ' N ' ' A' ' 163' ' ' ALA . 0.4 OUTLIER -79.08 -39.59 33.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 159' ' ' VAL . . . . . 1.241 HG23 ' O ' ' A' ' 155' ' ' LEU . 19.6 t -71.5 -126.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.637 ' H ' HG12 ' A' ' 159' ' ' VAL . . . -31.48 -55.97 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 161' ' ' SER . . . . . 0.788 ' CB ' ' HA ' ' A' ' 157' ' ' LYS . 0.6 OUTLIER -55.95 -11.44 1.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 110.009 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 162' ' ' HIS . . . . . 0.909 ' N ' ' O ' ' A' ' 159' ' ' VAL . 0.1 OUTLIER -152.83 -51.81 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.624 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 1.09 ' N ' ' O ' ' A' ' 159' ' ' VAL . . . -114.99 87.98 16.27 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.355 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 164' ' ' PRO . . . . . 0.456 ' HA ' ' HA ' ' A' ' 160' ' ' ALA . 18.3 Cg_endo -75.02 63.38 6.01 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.508 1.794 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 165' ' ' SER . . . . . 0.418 ' C ' HD12 ' A' ' 166' ' ' LEU . 17.4 t -125.3 0.47 7.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.008 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.598 ' O ' ' N ' ' A' ' 170' ' ' VAL . 3.8 mp -143.69 58.34 1.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 167' ' ' LEU . . . . . 1.007 HD13 ' H ' ' A' ' 168' ' ' ARG . 0.0 OUTLIER -54.86 -51.88 64.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 168' ' ' ARG . . . . . 1.007 ' H ' HD13 ' A' ' 167' ' ' LEU . 0.4 OUTLIER -58.48 -50.28 74.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 169' ' ' ASP . . . . . 0.674 ' O ' ' OG1' ' A' ' 173' ' ' THR . 0.8 OUTLIER -66.47 -34.29 77.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 109.289 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 170' ' ' VAL . . . . . 0.748 HG12 ' N ' ' A' ' 171' ' ' PHE . 1.0 OUTLIER -49.94 -68.51 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 171' ' ' PHE . . . . . 1.171 ' CD2' ' HB3' ' A' ' 38' ' ' LEU . 1.6 m-85 -59.87 -49.59 77.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 172' ' ' HIS . . . . . 0.459 ' NE2' ' HD3' ' A' ' 124' ' ' ARG . 42.1 t60 -50.4 -33.68 21.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.553 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 173' ' ' THR . . . . . 1.037 HG21 ' HB2' ' A' ' 155' ' ' LEU . 89.0 m -66.18 -61.02 2.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.382 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 174' ' ' THR . . . . . 0.752 ' HA ' HG23 ' A' ' 152' ' ' THR . 17.0 p -47.57 -59.74 3.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.438 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 175' ' ' VAL . . . . . 1.068 HG13 HG22 ' A' ' 17' ' ' THR . 3.0 t -76.74 12.6 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 176' ' ' ASN . . . . . 0.897 ' HB3' ' O ' ' A' ' 173' ' ' THR . 0.1 OUTLIER -80.22 -52.03 8.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 177' ' ' PHE . . . . . 0.746 ' CZ ' ' N ' ' A' ' 131' ' ' LEU . 1.8 m-30 -61.68 -52.61 63.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 178' ' ' ILE . . . . . 0.887 ' CG1' HG23 ' A' ' 17' ' ' THR . 0.0 OUTLIER -62.5 -43.01 97.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 179' ' ' ASN . . . . . 0.698 ' CA ' HG21 ' A' ' 17' ' ' THR . 3.0 t-20 -54.98 -39.42 68.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 180' ' ' GLN . . . . . 0.462 ' O ' ' O ' ' A' ' 179' ' ' ASN . 20.4 tp60 -49.55 -103.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 110.317 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.548 ' C ' HD13 ' A' ' 182' ' ' LEU . 14.5 t-20 -126.02 -4.04 6.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 182' ' ' LEU . . . . . 0.89 HD21 HD13 ' A' ' 131' ' ' LEU . 0.2 OUTLIER -97.03 39.97 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 183' ' ' PHE . . . . . 0.588 ' CE2' ' HB ' ' A' ' 16' ' ' ILE . 0.7 OUTLIER -28.99 -39.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 0.0 111.008 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 184' ' ' SER . . . . . 0.527 ' N ' ' O ' ' A' ' 182' ' ' LEU . 23.1 t -170.95 108.14 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.031 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 185' ' ' TYR . . . . . 0.717 ' CE2' ' HA ' ' A' ' 145' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.97 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.637 HG21 ' CG2' ' A' ' 83' ' ' ILE . 3.3 mm . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . 1.124 HG23 HD11 ' A' ' 178' ' ' ILE . 28.6 m -54.97 -62.67 1.51 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.4 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.42 -37.45 37.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 1.1 mm? -59.44 -32.52 70.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.102 ' CD2' HD22 ' A' ' 90' ' ' LEU . 1.2 tm? -63.55 -45.63 89.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.979 ' HB ' HG21 ' A' ' 175' ' ' VAL . 0.4 OUTLIER -63.28 -61.38 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.962 ' O ' HD23 ' A' ' 35' ' ' LEU . 6.2 t80 -58.07 -36.14 72.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 111.022 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -75.93 -34.08 48.78 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.504 1.127 . . . . 0.0 111.031 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 1.172 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 2.0 t80 -53.83 -58.47 7.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 0.782 . . . . 0.0 111.031 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.803 HD22 ' CE1' ' A' ' 171' ' ' PHE . 0.4 OUTLIER -56.68 -44.05 81.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -53.75 -32.51 52.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.272 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.548 ' HB3' ' HB3' ' A' ' 91' ' ' ALA . 29.0 t -66.71 -96.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.983 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.2 t -140.86 17.56 2.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.987 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.537 ' HA3' ' CE1' ' A' ' 24' ' ' PHE . . . -55.25 -108.54 0.01 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.479 1.112 . . . . 0.0 111.049 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.401 ' SG ' ' CD ' ' A' ' 34' ' ' GLU . 43.1 t -86.84 -89.69 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.226 -1.028 . . . . 0.0 108.226 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 34' ' ' GLU . 0.4 OUTLIER -144.42 149.13 35.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.425 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -43.11 -58.74 2.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.306 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.432 ' O ' ' HB ' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -55.61 -25.58 39.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.735 ' C ' HD23 ' A' ' 25' ' ' LEU . 1.8 tp10 -65.7 -57.01 9.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 1.001 HD13 ' N ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -42.78 -39.95 2.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 1.001 ' N ' HD13 ' A' ' 35' ' ' LEU . 39.6 tt0 -80.65 -31.42 36.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.234 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.651 HG13 ' CD2' ' A' ' 167' ' ' LEU . 0.4 OUTLIER -65.68 -59.32 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 1.006 HD22 ' C ' ' A' ' 167' ' ' LEU . 37.6 mt -62.9 -46.08 89.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.09 . . . . 0.0 109.253 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.712 ' HA3' ' CE1' ' A' ' 22' ' ' PHE . . . -48.12 -42.33 23.76 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.489 1.118 . . . . 0.0 110.956 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.521 0.777 . . . . 0.0 110.341 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 8.7 mt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.637 ' CG2' HG21 ' A' ' 16' ' ' ILE . 32.3 mm -54.12 -57.87 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 59.4 m80 -54.88 -37.69 66.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.604 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -53.31 -45.39 68.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.506 HG22 ' O ' ' A' ' 83' ' ' ILE . 1.3 tp -61.41 -42.61 94.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.249 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.936 ' HA ' HD23 ' A' ' 20' ' ' LEU . . . -54.17 -42.34 69.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.546 ' CG ' ' HB2' ' A' ' 27' ' ' SER . 20.4 ttt180 -64.84 -54.12 35.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.562 ' CE1' HD12 ' A' ' 93' ' ' ILE . 17.6 t60 -57.92 -15.31 8.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.561 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 1.102 HD22 ' CD2' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -61.67 -67.7 0.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 1.172 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -52.37 -48.94 65.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -50.47 -35.94 31.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.239 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 1.029 HG22 ' O ' ' A' ' 90' ' ' LEU . 0.1 OUTLIER -68.93 -29.73 44.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.498 ' HA2' ' CE ' ' A' ' 97' ' ' MET . . . -59.58 -55.39 30.82 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.463 1.102 . . . . 0.0 111.027 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.47 ' HA ' ' CE ' ' A' ' 157' ' ' LYS . 63.3 t0 -60.92 -43.19 98.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 0.752 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -39.06 92.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.632 ' CG ' ' N ' ' A' ' 98' ' ' ASP . 0.1 OUTLIER -51.02 -50.72 58.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.958 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.632 ' N ' ' CG ' ' A' ' 97' ' ' MET . 0.4 OUTLIER -38.23 -29.72 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.489 ' N ' ' O ' ' A' ' 97' ' ' MET . 66.2 t60 -42.83 -69.26 0.14 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.583 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -148.96 90.37 1.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 1.038 HG22 ' HB3' ' A' ' 107' ' ' ARG . 7.3 mm -131.64 89.93 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.577 1.173 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.788 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 0.0 OUTLIER 157.34 54.96 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.285 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.788 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.3 Cg_endo -75.03 -19.73 17.48 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.499 1.789 . . . . 0.0 111.015 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.704 ' O ' ' CB ' ' A' ' 105' ' ' LEU . 8.8 t -147.32 6.85 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 110.349 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.704 ' CB ' ' O ' ' A' ' 104' ' ' THR . 12.1 tp 106.55 29.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 1.081 HG22 ' CE2' ' A' ' 138' ' ' PHE . 1.0 OUTLIER -59.14 -72.14 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 1.038 ' HB3' HG22 ' A' ' 101' ' ' ILE . 0.0 OUTLIER -52.73 -37.31 59.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 110.316 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.55 ' CB ' ' CD1' ' A' ' 105' ' ' LEU . 4.0 mm-40 -64.53 -27.22 68.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.318 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 1.063 HD21 ' HB2' ' A' ' 133' ' ' GLU . 0.7 OUTLIER -64.24 -73.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 1.007 ' O ' ' CD2' ' A' ' 113' ' ' PHE . . . -54.78 -39.33 68.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 107' ' ' ARG . . . -63.37 -22.06 66.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.983 ' CD ' ' O ' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -57.32 -50.25 73.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 110.265 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 1.215 ' CD2' ' HB2' ' A' ' 130' ' ' ALA . 1.8 p90 -66.53 -42.75 86.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.157 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.778 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 8.9 tmm? . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.86 ' HA ' HD11 ' A' ' 127' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.413 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 3.8 t-20 -68.26 -39.42 82.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.448 ' CB ' ' CD1' ' A' ' 113' ' ' PHE . 3.1 m -54.74 -57.01 13.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 108.309 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 1.068 HD13 ' HA ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -53.37 -65.18 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.338 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.627 ' HB2' ' OD1' ' A' ' 176' ' ' ASN . . . -46.13 -39.32 9.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.526 ' O ' ' CD ' ' A' ' 133' ' ' GLU . 7.3 mttt -65.38 -23.71 67.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.347 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 1.215 ' HB2' ' CD2' ' A' ' 113' ' ' PHE . . . -71.22 -38.83 71.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.347 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.772 ' O ' ' HB3' ' A' ' 135' ' ' LYS . 0.0 OUTLIER -55.59 -41.97 74.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.572 ' N ' HD23 ' A' ' 131' ' ' LEU . 1.5 m-20 -61.67 -61.73 2.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 1.063 ' HB2' HD21 ' A' ' 109' ' ' LEU . 0.5 OUTLIER -52.8 -60.37 3.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.27 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 1.137 HG12 ' O ' ' A' ' 130' ' ' ALA . 11.5 p -55.04 -42.52 65.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.772 ' HB3' ' O ' ' A' ' 131' ' ' LEU . 0.2 OUTLIER -87.29 25.14 1.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.821 HG22 ' HA ' ' A' ' 133' ' ' GLU . 1.9 t -160.78 24.71 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.386 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.537 ' C ' ' HD3' ' A' ' 139' ' ' PRO . . . -134.09 -56.0 0.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 1.122 ' CE2' HG23 ' A' ' 134' ' ' VAL . 2.1 p90 -130.63 47.19 2.67 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.981 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.7 ' HD3' ' N ' ' A' ' 138' ' ' PHE . 18.2 Cg_endo -75.02 170.05 21.28 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.533 1.807 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 140' ' ' ARG . . . . . 0.782 ' HB2' ' CG ' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 175.6 -97.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.304 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 141' ' ' ASP . . . . . 0.584 ' O ' ' N ' ' A' ' 145' ' ' ASP . 1.1 m-20 -135.75 -145.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 142' ' ' MET . . . . . 0.646 ' O ' ' CB ' ' A' ' 146' ' ' LYS . 1.7 tmt? -51.71 -31.47 26.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 111.035 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -67.91 -62.95 1.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' ASN . . . . . 0.782 ' CG ' ' HB2' ' A' ' 140' ' ' ARG . 1.0 OUTLIER -73.96 -57.7 3.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.274 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 145' ' ' ASP . . . . . 0.631 ' CG ' ' CE1' ' A' ' 185' ' ' TYR . 9.4 t0 -40.24 -54.83 2.29 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.646 ' CB ' ' O ' ' A' ' 142' ' ' MET . 0.6 OUTLIER -53.89 -28.87 39.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.807 ' O ' HG22 ' A' ' 150' ' ' ILE . . . -53.27 -52.24 59.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 148' ' ' MET . . . . . 0.661 ' HG2' HG13 ' A' ' 134' ' ' VAL . 1.4 mtp -53.37 -54.19 40.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.538 ' O ' ' SD ' ' A' ' 153' ' ' MET . 3.5 tp -57.99 -45.07 87.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 0.807 HG22 ' O ' ' A' ' 147' ' ' ALA . 0.7 OUTLIER -54.6 -29.07 20.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 151' ' ' MET . . . . . 0.975 ' HA ' HD23 ' A' ' 154' ' ' LEU . 1.9 mmt -58.51 -52.62 64.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 111.049 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 152' ' ' THR . . . . . 0.913 HG23 ' HA ' ' A' ' 174' ' ' THR . 0.5 OUTLIER -46.1 -47.2 17.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.394 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 153' ' ' MET . . . . . 0.611 ' O ' ' CB ' ' A' ' 157' ' ' LYS . 1.8 mpt? -71.13 -20.42 62.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.975 HD23 ' HA ' ' A' ' 151' ' ' MET . 0.5 OUTLIER -61.57 -52.72 63.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.362 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 1.083 HD23 HG22 ' A' ' 173' ' ' THR . 0.0 OUTLIER -54.04 -55.47 27.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 1.057 ' O ' ' O ' ' A' ' 159' ' ' VAL . . . -64.17 -52.74 57.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.611 ' CB ' ' O ' ' A' ' 153' ' ' MET . 39.3 tptt -45.43 -50.85 12.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 158' ' ' LYS . . . . . 0.894 ' O ' ' N ' ' A' ' 163' ' ' ALA . 51.6 mmtt -77.49 -52.21 9.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 159' ' ' VAL . . . . . 1.057 ' O ' ' O ' ' A' ' 156' ' ' ALA . 23.0 t -91.19 152.06 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 1.118 ' CB ' HG11 ' A' ' 170' ' ' VAL . . . 69.08 -49.46 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 161' ' ' SER . . . . . 0.479 ' H ' ' C ' ' A' ' 159' ' ' VAL . 0.1 OUTLIER -91.35 -9.38 45.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.043 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 162' ' ' HIS . . . . . 0.578 ' CB ' ' O ' ' A' ' 158' ' ' LYS . 0.5 OUTLIER -152.62 -36.83 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.57 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 0.894 ' N ' ' O ' ' A' ' 158' ' ' LYS . . . -117.13 96.86 49.95 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 55.81 4.03 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.494 1.786 . . . . 0.0 111.026 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 165' ' ' SER . . . . . 0.593 ' OG ' HD12 ' A' ' 166' ' ' LEU . 7.3 p -109.42 -14.48 14.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.96 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.831 HD13 HG11 ' A' ' 159' ' ' VAL . 3.5 mp -143.43 132.93 23.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 167' ' ' LEU . . . . . 1.006 ' C ' HD22 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -100.36 -91.22 0.31 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 168' ' ' ARG . . . . . 0.466 ' N ' HD22 ' A' ' 38' ' ' LEU . 18.6 ptt180 -56.63 -34.84 67.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.281 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.91 -45.78 93.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 170' ' ' VAL . . . . . 1.118 HG11 ' CB ' ' A' ' 160' ' ' ALA . 0.4 OUTLIER -56.25 -49.54 75.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 171' ' ' PHE . . . . . 1.0 ' CD2' ' HB2' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -62.2 -54.53 39.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 0.0 111.025 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 172' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -57.17 -22.62 41.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.656 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 173' ' ' THR . . . . . 1.083 HG22 HD23 ' A' ' 155' ' ' LEU . 4.5 m -66.31 -49.13 68.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.46 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 174' ' ' THR . . . . . 0.97 HG23 ' O ' ' A' ' 171' ' ' PHE . 0.6 OUTLIER -60.55 -52.07 66.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.392 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 175' ' ' VAL . . . . . 0.993 ' HA ' HD12 ' A' ' 178' ' ' ILE . 1.1 t -72.63 1.1 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 176' ' ' ASN . . . . . 0.831 ' HB3' ' O ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -78.03 -59.08 2.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 177' ' ' PHE . . . . . 0.788 ' CZ ' ' HB2' ' A' ' 151' ' ' MET . 1.0 OUTLIER -53.93 -56.71 15.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 111.012 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 178' ' ' ILE . . . . . 1.124 HD11 HG23 ' A' ' 17' ' ' THR . 0.0 OUTLIER -55.92 -38.87 54.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 179' ' ' ASN . . . . . 1.004 ' N ' HD13 ' A' ' 178' ' ' ILE . 7.1 t30 -67.12 -40.36 86.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 180' ' ' GLN . . . . . 0.592 ' HG3' ' HB1' ' A' ' 128' ' ' ALA . 12.9 mm100 -82.91 -10.43 58.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.31 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.517 ' N ' ' O ' ' A' ' 177' ' ' PHE . 21.8 t30 -95.84 -152.18 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 182' ' ' LEU . . . . . 0.606 ' O ' ' N ' ' A' ' 184' ' ' SER . 0.0 OUTLIER -92.0 36.55 0.97 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.137 . . . . 0.0 109.296 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 183' ' ' PHE . . . . . 0.808 ' O ' ' CG ' ' A' ' 183' ' ' PHE . 5.8 t80 32.4 30.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 184' ' ' SER . . . . . 0.606 ' CB ' ' O ' ' A' ' 183' ' ' PHE . 1.1 m 150.91 90.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.995 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 185' ' ' TYR . . . . . 0.642 ' OH ' ' N ' ' A' ' 142' ' ' MET . 8.2 t80 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.58 1.175 . . . . 0.0 111.007 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.788 HG23 HD12 ' A' ' 83' ' ' ILE . 2.8 mm . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.974 HG22 HG13 ' A' ' 175' ' ' VAL . 6.7 m -54.2 -61.16 2.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 110.388 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -46.05 -35.75 5.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.3 OUTLIER -61.94 -33.22 73.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.009 HD21 HD22 ' A' ' 90' ' ' LEU . 0.4 OUTLIER -64.8 -42.6 94.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 109.269 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.983 ' HB ' HG21 ' A' ' 175' ' ' VAL . 0.5 OUTLIER -62.3 -65.19 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.861 ' CD2' ' HA3' ' A' ' 39' ' ' GLY . 2.7 t80 -62.56 -33.52 75.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -72.67 -37.29 57.82 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.542 1.151 . . . . 0.0 111.025 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 1.226 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 3.1 t80 -53.36 -57.45 10.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 0.77 . . . . 0.0 110.96 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 1.114 HD22 ' CE1' ' A' ' 171' ' ' PHE . 0.2 OUTLIER -57.91 -39.81 78.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.568 ' CB ' HD13 ' A' ' 35' ' ' LEU . 4.9 tt0 -55.31 -35.09 64.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.345 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.577 ' CB ' ' O ' ' A' ' 88' ' ' ARG . 1.9 t -66.2 -97.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 110.05 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.48 ' N ' ' OG ' ' A' ' 27' ' ' SER . 0.2 OUTLIER -139.46 19.98 2.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.495 ' HA3' ' CE1' ' A' ' 24' ' ' PHE . . . -55.68 -107.81 0.01 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.507 ' H ' HD12 ' A' ' 25' ' ' LEU . 49.1 t -89.32 -93.52 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 34' ' ' GLU . 5.3 p -144.63 152.38 40.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.37 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.564 ' O ' HD23 ' A' ' 35' ' ' LEU . 0.4 OUTLIER -42.0 -61.42 1.14 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.256 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.492 ' O ' ' HB ' ' A' ' 37' ' ' VAL . 2.6 tt0 -51.69 -25.81 8.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.138 . . . . 0.0 110.257 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.682 ' C ' HD23 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -68.09 -54.52 17.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.801 ' HG ' ' CE1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -42.96 -39.85 2.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.508 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 0.4 OUTLIER -82.82 -32.88 27.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.774 HG12 HD22 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -62.22 -57.71 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 1.08 ' CD2' ' HB2' ' A' ' 167' ' ' LEU . 0.3 OUTLIER -79.28 -38.74 34.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.861 ' HA3' ' CD2' ' A' ' 22' ' ' PHE . . . -47.45 -50.6 17.84 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.457 1.098 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.48 ' O ' ' O ' ' A' ' 36' ' ' GLU . 1.5 ttp180 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.485 0.756 . . . . 0.0 110.3 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.618 HG22 ' N ' ' A' ' 83' ' ' ILE . 37.0 mm . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.788 HD12 HG23 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -52.58 -39.11 28.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.695 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 57.0 m-70 -61.46 -39.58 91.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 0.0 109.568 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.416 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 52.3 t30 -57.05 -51.61 68.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.477 ' CG1' ' O ' ' A' ' 83' ' ' ILE . 3.8 pt -61.45 -25.57 37.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.695 ' HB3' ' O ' ' A' ' 84' ' ' HIS . . . -61.51 -62.16 2.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.577 ' O ' ' CB ' ' A' ' 27' ' ' SER . 0.3 OUTLIER -63.69 -45.57 89.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.289 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 1.083 ' O ' HG23 ' A' ' 93' ' ' ILE . 23.3 t-80 -54.98 -23.16 17.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.568 1.167 . . . . 0.0 109.61 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 1.009 HD22 HD21 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -56.26 -63.42 1.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 1.226 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -52.72 -48.73 66.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -49.49 -46.87 48.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.361 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 1.083 HG23 ' O ' ' A' ' 89' ' ' HIS . 1.1 pt -68.03 -24.68 30.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.462 ' O ' ' HG3' ' A' ' 157' ' ' LYS . . . -61.52 -54.5 35.35 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.555 1.159 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -61.57 -45.94 92.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 0.731 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.82 -40.84 98.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.085 . . . . 0.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.46 ' O ' ' N ' ' A' ' 99' ' ' HIS . 0.3 OUTLIER -51.74 -46.63 64.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 110.963 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 97' ' ' MET . 43.4 t0 -38.79 -30.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.46 ' N ' ' O ' ' A' ' 97' ' ' MET . 2.9 m-70 -44.2 -47.59 9.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.627 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -144.77 85.83 1.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.792 HG23 ' O ' ' A' ' 101' ' ' ILE . 0.3 OUTLIER -114.7 82.83 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.884 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 3.0 tt0 152.35 52.95 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.884 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.4 Cg_endo -75.02 11.51 1.43 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.511 1.795 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.834 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 0.9 OUTLIER 167.04 1.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.371 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.834 ' HB2' ' O ' ' A' ' 104' ' ' THR . 0.1 OUTLIER 106.01 29.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 1.207 HG22 ' CD2' ' A' ' 138' ' ' PHE . 1.0 OUTLIER -61.35 -74.67 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.277 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.845 ' N ' HG12 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -55.65 -17.12 5.05 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 110.337 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.782 ' CB ' HH21 ' A' ' 107' ' ' ARG . 0.8 OUTLIER -61.68 -48.13 82.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 110.318 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 1.25 HD12 ' N ' ' A' ' 110' ' ' ALA . 0.5 OUTLIER -64.09 -61.63 2.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 1.25 ' N ' HD12 ' A' ' 109' ' ' LEU . . . -49.97 -35.88 26.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 107' ' ' ARG . . . -69.29 -24.36 63.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.748 ' CG ' ' O ' ' A' ' 109' ' ' LEU . 2.0 pt20 -56.47 -50.97 70.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.275 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 1.182 ' CD2' ' HB2' ' A' ' 130' ' ' ALA . 1.5 p90 -67.77 -39.65 84.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.751 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 5.5 ttp . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 111.022 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.62 ' HA ' HD23 ' A' ' 127' ' ' LEU . 4.2 ttp-105 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.53 ' O ' ' N ' ' A' ' 129' ' ' LYS . 24.3 t30 -67.51 -43.19 81.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.567 ' O ' ' HB3' ' A' ' 129' ' ' LYS . 2.0 m -52.48 -58.93 5.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 108.348 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.823 HD13 ' N ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -59.22 -62.34 1.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.4 ' N ' ' OD1' ' A' ' 176' ' ' ASN . . . -48.5 -30.93 5.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.567 ' HB3' ' O ' ' A' ' 126' ' ' CYS . 3.6 tttt -60.77 -29.37 69.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 1.197 ' O ' HG12 ' A' ' 134' ' ' VAL . . . -73.5 -40.78 63.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 1.056 HD13 ' N ' ' A' ' 132' ' ' ASP . 0.0 OUTLIER -46.8 -47.98 20.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 1.056 ' N ' HD13 ' A' ' 131' ' ' LEU . 0.2 OUTLIER -62.06 -54.89 35.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.76 ' CB ' HD13 ' A' ' 109' ' ' LEU . 0.5 OUTLIER -51.57 -61.98 1.91 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 1.197 HG12 ' O ' ' A' ' 130' ' ' ALA . 1.4 p -57.59 -37.03 56.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 1.017 ' CE ' HG22 ' A' ' 134' ' ' VAL . 1.1 mmpt? -82.67 20.04 1.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.734 ' HB ' ' O ' ' A' ' 132' ' ' ASP . 0.6 OUTLIER -136.94 -10.06 1.78 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.38 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.693 ' C ' ' HD3' ' A' ' 139' ' ' PRO . . . -111.93 -50.18 2.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 1.207 ' CD2' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -117.16 61.53 2.88 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 110.98 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.693 ' HD3' ' C ' ' A' ' 137' ' ' ALA . 18.4 Cg_endo -74.96 145.69 31.9 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.447 1.762 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 140' ' ' ARG . . . . . 0.802 ' N ' ' CB ' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 176.44 -161.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.364 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 141' ' ' ASP . . . . . 0.686 ' O ' ' HB2' ' A' ' 145' ' ' ASP . 1.0 OUTLIER -93.85 -105.89 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.082 . . . . 0.0 109.29 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 142' ' ' MET . . . . . 0.522 ' HA ' ' CZ ' ' A' ' 185' ' ' TYR . 7.7 tmm? -67.52 -34.87 77.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -65.49 -58.72 5.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 110.323 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' ASN . . . . . 0.802 ' CB ' ' N ' ' A' ' 140' ' ' ARG . 1.7 t30 -66.53 -60.5 2.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 145' ' ' ASP . . . . . 0.686 ' HB2' ' O ' ' A' ' 141' ' ' ASP . 31.9 m-20 -40.44 -52.04 2.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.549 ' O ' ' HG ' ' A' ' 149' ' ' LEU . 6.0 ttmt -66.58 -26.19 66.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.639 ' HB3' ' O ' ' A' ' 144' ' ' ASN . . . -63.53 -54.77 30.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 148' ' ' MET . . . . . 0.8 ' SD ' HD23 ' A' ' 131' ' ' LEU . 0.9 OUTLIER -55.49 -53.57 54.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 111.029 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.79 HD12 ' C ' ' A' ' 149' ' ' LEU . 0.5 OUTLIER -55.24 -40.52 70.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 0.766 ' N ' HD12 ' A' ' 149' ' ' LEU . 1.4 mt -55.63 -30.2 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 109.287 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 151' ' ' MET . . . . . 1.096 ' O ' ' CD2' ' A' ' 155' ' ' LEU . 6.1 mmm -62.79 -56.96 12.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 152' ' ' THR . . . . . 0.903 HG21 ' HB2' ' A' ' 177' ' ' PHE . 50.6 p -44.3 -52.1 7.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.372 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 153' ' ' MET . . . . . 0.677 ' HE1' HD11 ' A' ' 93' ' ' ILE . 10.0 ptp -67.46 -24.95 65.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 111.034 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.994 ' C ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -60.39 -51.62 68.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 1.096 ' CD2' ' O ' ' A' ' 151' ' ' MET . 0.0 OUTLIER -52.02 -46.45 65.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 1.112 ' O ' ' O ' ' A' ' 159' ' ' VAL . . . -66.09 -54.09 29.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.551 ' O ' ' HB2' ' A' ' 162' ' ' HIS . 0.0 OUTLIER -43.43 -46.02 6.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.269 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 158' ' ' LYS . . . . . 0.584 ' O ' ' N ' ' A' ' 163' ' ' ALA . 7.1 mmmt -77.09 -52.91 8.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 159' ' ' VAL . . . . . 1.112 ' O ' ' O ' ' A' ' 156' ' ' ALA . 25.4 t -99.17 160.14 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 1.017 ' HB3' HG11 ' A' ' 170' ' ' VAL . . . 63.79 -53.23 0.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 161' ' ' SER . . . . . 0.631 ' N ' ' O ' ' A' ' 159' ' ' VAL . 0.2 OUTLIER -86.96 -11.51 50.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.003 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 162' ' ' HIS . . . . . 0.567 ' HB2' ' O ' ' A' ' 158' ' ' LYS . 10.4 m80 -147.3 -34.79 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.595 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 0.911 ' HB3' ' HA ' ' A' ' 159' ' ' VAL . . . -118.43 92.56 43.71 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 91.04 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.508 1.794 . . . . 0.0 110.972 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.66 -62.56 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.999 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 6.5 tp -122.06 62.2 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 167' ' ' LEU . . . . . 1.08 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -47.11 -61.6 1.81 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 168' ' ' ARG . . . . . 0.985 ' H ' HD13 ' A' ' 167' ' ' LEU . 0.5 OUTLIER -40.19 -45.82 2.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.264 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 169' ' ' ASP . . . . . 0.589 ' O ' ' OG1' ' A' ' 173' ' ' THR . 0.0 OUTLIER -63.95 -40.76 97.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 170' ' ' VAL . . . . . 1.017 HG11 ' HB3' ' A' ' 160' ' ' ALA . 1.1 t -62.86 -61.55 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 171' ' ' PHE . . . . . 1.114 ' CE1' HD22 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -45.25 -49.54 12.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 172' ' ' HIS . . . . . 0.5 ' O ' ' N ' ' A' ' 176' ' ' ASN . 0.8 OUTLIER -58.5 -31.42 67.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.636 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 173' ' ' THR . . . . . 1.046 HG21 ' CG ' ' A' ' 155' ' ' LEU . 1.5 m -52.77 -49.06 66.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.414 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 174' ' ' THR . . . . . 0.727 ' HA ' ' HB ' ' A' ' 152' ' ' THR . 32.7 p -59.02 -63.71 1.21 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.395 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 175' ' ' VAL . . . . . 0.983 HG21 ' HB ' ' A' ' 21' ' ' VAL . 7.3 t -72.48 8.26 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 176' ' ' ASN . . . . . 0.766 ' ND2' HG22 ' A' ' 152' ' ' THR . 0.1 OUTLIER -73.15 -57.23 4.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.356 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 177' ' ' PHE . . . . . 0.903 ' HB2' HG21 ' A' ' 152' ' ' THR . 7.0 m-30 -65.13 -54.88 23.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 178' ' ' ILE . . . . . 0.793 ' HB ' HG23 ' A' ' 17' ' ' THR . 2.5 mt -51.09 -40.1 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 179' ' ' ASN . . . . . 0.736 ' O ' ' O ' ' A' ' 180' ' ' GLN . 11.5 t-20 -70.41 -33.03 70.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 180' ' ' GLN . . . . . 0.858 ' HG3' ' H ' ' A' ' 182' ' ' LEU . 0.4 OUTLIER -47.25 -152.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 110.26 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.635 ' N ' ' CG ' ' A' ' 180' ' ' GLN . 58.6 t30 -98.04 -30.8 12.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 182' ' ' LEU . . . . . 0.997 ' O ' ' O ' ' A' ' 183' ' ' PHE . 0.3 OUTLIER -80.53 -2.22 45.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.252 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 183' ' ' PHE . . . . . 0.997 ' O ' ' O ' ' A' ' 182' ' ' LEU . 0.1 OUTLIER 27.23 -178.93 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 184' ' ' SER . . . . . 0.786 ' N ' ' CG ' ' A' ' 183' ' ' PHE . 0.6 OUTLIER -47.71 178.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 110.014 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 185' ' ' TYR . . . . . 0.522 ' CZ ' ' HA ' ' A' ' 142' ' ' MET . 1.1 t80 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.971 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.593 HD11 ' CE1' ' A' ' 84' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . 1.034 HG22 HG13 ' A' ' 175' ' ' VAL . 14.3 m -53.68 -59.07 5.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.386 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -48.88 -36.27 16.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.353 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.511 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.6 OUTLIER -61.29 -33.25 73.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.246 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.072 ' CD2' HD22 ' A' ' 90' ' ' LEU . 1.5 tm? -64.27 -45.79 86.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 1.0 ' HB ' HG21 ' A' ' 175' ' ' VAL . 0.5 OUTLIER -59.22 -64.29 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.742 ' HA ' ' CE2' ' A' ' 171' ' ' PHE . 1.4 t80 -62.27 -30.49 71.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 111.029 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -73.68 -34.95 55.91 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.514 1.134 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 1.175 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 1.3 t80 -56.9 -56.04 26.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 0.78 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 1.033 ' HB2' ' CZ ' ' A' ' 171' ' ' PHE . 0.3 OUTLIER -56.77 -43.37 80.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.579 ' HG3' ' N ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -59.97 -29.54 68.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.324 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.579 ' N ' ' HG3' ' A' ' 26' ' ' GLN . 0.1 OUTLIER -69.14 -86.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.3 t -144.35 50.14 1.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.001 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.707 ' HA3' HD12 ' A' ' 25' ' ' LEU . . . -99.73 -97.49 2.17 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.464 1.103 . . . . 0.0 111.043 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.631 ' HB3' ' CB ' ' A' ' 34' ' ' GLU . 43.5 t -110.64 -104.64 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 34' ' ' GLU . 2.7 m -143.83 166.93 23.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.403 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.694 ' HA ' HD11 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -46.52 -45.81 18.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 110.261 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 1.057 ' O ' HG23 ' A' ' 37' ' ' VAL . 1.1 mm-40 -60.64 -29.68 69.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.333 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.75 ' HG2' HD21 ' A' ' 25' ' ' LEU . 0.7 OUTLIER -71.45 -59.4 2.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.817 ' N ' HD23 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -46.36 -37.21 7.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.441 ' HA ' ' CE2' ' A' ' 22' ' ' PHE . 11.6 tt0 -72.44 -34.34 67.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 1.057 HG23 ' O ' ' A' ' 33' ' ' GLN . 64.1 t -62.2 -63.37 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 1.084 ' HB2' ' CD2' ' A' ' 171' ' ' PHE . 0.1 OUTLIER -73.12 -39.47 65.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.702 ' HA3' ' CD2' ' A' ' 22' ' ' PHE . . . -46.53 -56.39 7.31 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 111.038 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.78 . . . . 0.0 110.306 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.616 HG22 ' N ' ' A' ' 83' ' ' ILE . 4.6 mp . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.616 ' N ' HG22 ' A' ' 82' ' ' ILE . 6.3 mt -53.02 -38.84 30.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.353 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.593 ' CE1' HD11 ' A' ' 16' ' ' ILE . 44.4 m80 -61.94 -44.68 96.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.593 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.401 ' HB3' ' O ' ' A' ' 82' ' ' ILE . 17.0 t30 -54.82 -50.06 69.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.559 HG22 ' O ' ' A' ' 83' ' ' ILE . 1.2 tp -61.71 -37.27 77.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.965 ' HA ' HD23 ' A' ' 20' ' ' LEU . . . -53.97 -44.45 70.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.548 ' C ' ' OG ' ' A' ' 27' ' ' SER . 0.3 OUTLIER -67.17 -51.98 47.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 1.055 ' O ' HG23 ' A' ' 93' ' ' ILE . 65.1 t60 -51.18 -20.5 1.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.569 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 1.072 HD22 ' CD2' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -58.1 -64.84 0.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 1.175 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -55.26 -45.2 76.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -51.64 -48.07 63.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.27 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 1.055 HG23 ' O ' ' A' ' 89' ' ' HIS . 1.7 pt -67.64 -22.17 28.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.54 -55.72 25.69 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.488 1.118 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -62.49 -51.57 66.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 0.776 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -61.38 -38.29 86.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.331 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.594 ' CB ' ' O ' ' A' ' 93' ' ' ILE . 7.0 tpp -51.45 -47.6 63.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.962 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.538 ' HA ' HD12 ' A' ' 101' ' ' ILE . 30.7 t0 -37.51 -32.46 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.455 ' N ' ' O ' ' A' ' 97' ' ' MET . 41.1 t60 -44.23 -39.93 4.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 109.584 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -143.74 87.6 1.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.751 HG22 ' O ' ' A' ' 101' ' ' ILE . 4.3 mt -116.41 81.29 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.986 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 3.4 tm0? 155.73 48.91 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.27 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.986 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.3 Cg_endo -75.01 76.86 3.28 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.888 ' OG1' ' O ' ' A' ' 103' ' ' PRO . 11.9 p 87.55 5.15 0.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.461 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.655 ' CB ' ' O ' ' A' ' 104' ' ' THR . 8.3 mt 103.01 26.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 1.011 HG22 ' CD2' ' A' ' 138' ' ' PHE . 0.9 OUTLIER -66.85 -75.41 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.823 ' N ' HG12 ' A' ' 106' ' ' VAL . 16.9 mmt180 -57.19 -15.61 6.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.152 . . . . 0.0 110.26 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.407 ' HB2' ' HA ' ' A' ' 105' ' ' LEU . 1.4 mm-40 -63.01 -48.97 76.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 1.227 HD12 ' N ' ' A' ' 110' ' ' ALA . 1.1 pp -60.44 -59.31 5.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.128 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 1.227 ' N ' HD12 ' A' ' 109' ' ' LEU . . . -50.3 -34.77 24.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.453 ' O ' ' HG3' ' A' ' 114' ' ' MET . . . -70.18 -24.06 63.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.763 ' CG ' ' O ' ' A' ' 109' ' ' LEU . 3.1 pt20 -54.89 -53.61 53.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.295 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 1.137 ' CD2' ' HB2' ' A' ' 130' ' ' ALA . 2.2 p90 -68.59 -38.46 80.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 111.007 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.755 ' CB ' HD12 ' A' ' 155' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.495 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.545 ' O ' ' N ' ' A' ' 129' ' ' LYS . 9.2 p30 -67.02 -42.38 85.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.708 ' SG ' HD23 ' A' ' 127' ' ' LEU . 1.6 p -51.65 -55.73 17.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 108.267 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.866 HD12 ' HB2' ' A' ' 176' ' ' ASN . 0.0 OUTLIER -57.0 -70.16 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -46.25 -29.84 1.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.561 ' HB2' ' O ' ' A' ' 126' ' ' CYS . 21.1 mtpt -60.94 -29.26 69.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 1.137 ' HB2' ' CD2' ' A' ' 113' ' ' PHE . . . -72.0 -46.44 57.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.859 ' HB2' HD21 ' A' ' 182' ' ' LEU . 0.3 OUTLIER -41.95 -46.86 4.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.281 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.866 ' O ' ' HB ' ' A' ' 136' ' ' THR . 7.7 t70 -67.0 -44.13 81.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.857 ' CB ' HD13 ' A' ' 109' ' ' LEU . 1.5 mp0 -61.93 -61.59 2.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.285 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 1.012 ' HA ' HD21 ' A' ' 109' ' ' LEU . 0.1 OUTLIER -52.62 -38.86 28.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.513 1.133 . . . . 0.0 109.245 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.634 ' CG ' ' O ' ' A' ' 131' ' ' LEU . 0.5 OUTLIER -84.17 7.35 19.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.866 ' HB ' ' O ' ' A' ' 132' ' ' ASP . 0.5 OUTLIER -110.57 -22.55 11.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 110.421 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.798 ' HB3' ' CE1' ' A' ' 138' ' ' PHE . . . -105.47 -49.02 3.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 1.011 ' CD2' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -117.54 59.57 2.83 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 111.024 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.707 ' HD3' ' C ' ' A' ' 137' ' ' ALA . 18.3 Cg_endo -74.97 155.46 43.05 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.493 1.786 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 140' ' ' ARG . . . . . 0.739 ' N ' ' CB ' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 161.93 -167.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 141' ' ' ASP . . . . . 0.688 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 0.8 OUTLIER -88.06 -105.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 142' ' ' MET . . . . . 0.644 ' HA ' ' CE2' ' A' ' 185' ' ' TYR . 12.6 ptt? -63.45 -32.37 73.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -66.16 -60.72 2.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' ASN . . . . . 0.739 ' CB ' ' N ' ' A' ' 140' ' ' ARG . 5.1 t30 -69.92 -56.94 5.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 145' ' ' ASP . . . . . 0.688 ' CB ' ' O ' ' A' ' 141' ' ' ASP . 10.4 m-20 -38.73 -54.67 1.56 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.244 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.501 ' O ' ' CG1' ' A' ' 150' ' ' ILE . 6.1 mmpt? -64.58 -33.31 75.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.579 ' N ' ' O ' ' A' ' 144' ' ' ASN . . . -61.32 -54.3 45.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.378 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 148' ' ' MET . . . . . 0.689 ' HG2' HG13 ' A' ' 134' ' ' VAL . 2.4 mtm -51.54 -57.09 10.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.155 . . . . 0.0 111.024 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 1.07 HD21 HD11 ' A' ' 90' ' ' LEU . 7.3 tp -54.77 -43.3 72.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 0.675 HG21 ' CZ ' ' A' ' 107' ' ' ARG . 1.3 mm -51.86 -31.86 13.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.108 . . . . 0.0 109.298 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 151' ' ' MET . . . . . 1.055 ' O ' ' CD2' ' A' ' 155' ' ' LEU . 4.9 mmm -61.76 -56.0 24.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 111.01 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 152' ' ' THR . . . . . 0.946 HG21 ' HB2' ' A' ' 177' ' ' PHE . 44.4 p -45.37 -47.16 13.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.427 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 153' ' ' MET . . . . . 0.953 ' CE ' HD11 ' A' ' 93' ' ' ILE . 26.2 mtm -68.27 -25.17 65.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 111.011 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.955 ' C ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -62.21 -51.23 68.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 1.107 ' HB2' HG21 ' A' ' 173' ' ' THR . 0.0 OUTLIER -52.93 -54.69 31.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 1.051 ' HA ' HG22 ' A' ' 170' ' ' VAL . . . -60.52 -54.91 39.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.492 ' O ' ' CE ' ' A' ' 157' ' ' LYS . 0.0 OUTLIER -43.18 -52.21 5.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.342 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 158' ' ' LYS . . . . . 0.873 ' O ' ' N ' ' A' ' 162' ' ' HIS . 11.5 mmtp -75.51 -54.06 7.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 159' ' ' VAL . . . . . 1.023 HG13 ' HB3' ' A' ' 163' ' ' ALA . 49.0 t -52.27 -56.13 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.723 ' N ' ' O ' ' A' ' 156' ' ' ALA . . . -32.73 -37.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 161' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 159' ' ' VAL . 0.4 OUTLIER -119.8 -10.91 9.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.02 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 162' ' ' HIS . . . . . 0.873 ' N ' ' O ' ' A' ' 158' ' ' LYS . 16.2 t-80 -95.46 -50.87 4.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.606 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 1.023 ' HB3' HG13 ' A' ' 159' ' ' VAL . . . -126.27 66.01 59.78 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 164' ' ' PRO . . . . . 0.501 ' HD3' ' C ' ' A' ' 162' ' ' HIS . 18.3 Cg_endo -74.96 5.6 3.87 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.519 1.8 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.2 -0.64 55.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.018 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 17.5 mt -143.8 48.49 1.41 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.579 1.174 . . . . 0.0 109.284 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 167' ' ' LEU . . . . . 1.046 HD22 HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -51.35 -21.88 2.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 168' ' ' ARG . . . . . 0.608 ' CG ' ' N ' ' A' ' 169' ' ' ASP . 3.3 ptm180 -61.98 -48.67 79.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 169' ' ' ASP . . . . . 0.654 ' O ' ' OG1' ' A' ' 173' ' ' THR . 2.6 t70 -65.54 -34.48 78.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 170' ' ' VAL . . . . . 1.051 HG22 ' HA ' ' A' ' 156' ' ' ALA . 0.9 OUTLIER -48.9 -60.32 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 171' ' ' PHE . . . . . 1.084 ' CD2' ' HB2' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -57.16 -50.95 71.24 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 172' ' ' HIS . . . . . 0.603 ' O ' ' CB ' ' A' ' 176' ' ' ASN . 3.5 t-160 -49.25 -42.46 40.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.544 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 173' ' ' THR . . . . . 1.107 HG21 ' HB2' ' A' ' 155' ' ' LEU . 1.7 m -52.97 -52.39 58.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.369 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 174' ' ' THR . . . . . 0.653 ' HA ' ' HB ' ' A' ' 152' ' ' THR . 16.8 p -57.88 -68.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.462 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 175' ' ' VAL . . . . . 1.034 HG13 HG22 ' A' ' 17' ' ' THR . 16.2 t -70.64 12.42 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.138 . . . . 0.0 109.339 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 176' ' ' ASN . . . . . 0.866 ' HB2' HD12 ' A' ' 127' ' ' LEU . 0.1 OUTLIER -77.11 -56.18 4.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 177' ' ' PHE . . . . . 0.949 ' HB3' HD23 ' A' ' 182' ' ' LEU . 7.0 m-30 -68.27 -47.18 68.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.959 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 178' ' ' ILE . . . . . 0.888 ' CG2' HG23 ' A' ' 17' ' ' THR . 4.0 mt -53.43 -58.2 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.365 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 179' ' ' ASN . . . . . 0.741 ' N ' HG21 ' A' ' 17' ' ' THR . 0.3 OUTLIER -58.82 -37.23 75.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 180' ' ' GLN . . . . . 0.556 ' HG2' ' CD2' ' A' ' 131' ' ' LEU . 12.1 tp60 -53.33 -104.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.611 ' C ' HD13 ' A' ' 182' ' ' LEU . 16.2 t-20 -123.73 -5.55 8.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 182' ' ' LEU . . . . . 0.949 HD23 ' HB3' ' A' ' 177' ' ' PHE . 0.0 OUTLIER -94.74 35.81 1.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 183' ' ' PHE . . . . . 0.543 ' O ' ' CG ' ' A' ' 183' ' ' PHE . 1.1 t80 -44.54 71.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 184' ' ' SER . . . . . 0.819 ' N ' ' O ' ' A' ' 182' ' ' LEU . 0.4 OUTLIER 56.06 138.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.978 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 185' ' ' TYR . . . . . 0.644 ' CE2' ' HA ' ' A' ' 142' ' ' MET . 2.0 t80 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.475 HG22 ' N ' ' A' ' 17' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . 1.042 HG22 HG13 ' A' ' 175' ' ' VAL . 3.0 m -53.05 -43.95 67.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.421 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -48.76 -46.0 40.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 109.235 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.8 OUTLIER -66.34 -25.37 66.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.192 ' CD1' HD22 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -62.44 -50.28 72.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.915 ' H ' HG21 ' A' ' 175' ' ' VAL . 0.4 OUTLIER -55.27 -59.28 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.774 ' CE1' ' HB3' ' A' ' 35' ' ' LEU . 3.4 t80 -63.89 -27.5 69.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -72.9 -40.9 50.87 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 1.174 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 0.3 OUTLIER -52.2 -53.57 41.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.0 110.968 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.987 HD21 ' CG ' ' A' ' 34' ' ' GLU . 6.2 tp -59.29 -41.31 88.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.75 ' CA ' HD21 ' A' ' 35' ' ' LEU . 0.3 OUTLIER -56.48 -33.85 66.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 -179.93 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.507 ' OG ' ' O ' ' A' ' 24' ' ' PHE . 0.3 OUTLIER -60.86 -73.11 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.014 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.7 t -142.13 28.48 1.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.972 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.623 ' CA ' HD12 ' A' ' 25' ' ' LEU . . . -61.3 -146.91 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.532 ' HB3' ' CB ' ' A' ' 34' ' ' GLU . 7.5 t -86.4 -87.39 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.452 ' H ' ' HB2' ' A' ' 34' ' ' GLU . 5.7 t -146.99 172.26 13.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.418 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.86 -54.83 9.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -53.39 -27.71 25.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.255 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.987 ' CG ' HD21 ' A' ' 25' ' ' LEU . 9.7 tp10 -68.41 -56.19 9.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.954 ' HG ' ' HB3' ' A' ' 25' ' ' LEU . 9.7 mp -46.75 -38.46 10.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.22 -45.12 67.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.89 HG13 HD23 ' A' ' 167' ' ' LEU . 0.4 OUTLIER -62.67 -58.67 6.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 1.048 HD22 ' O ' ' A' ' 167' ' ' LEU . 19.7 mt -69.96 -44.57 69.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.641 ' N ' ' CD2' ' A' ' 171' ' ' PHE . . . -50.43 -51.16 33.05 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.45 1.094 . . . . 0.0 111.047 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.0 110.319 179.973 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.412 HG13 ' CB ' ' A' ' 85' ' ' ASN . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.542 ' O ' HG22 ' A' ' 86' ' ' ILE . 2.6 mp -54.8 -50.58 59.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.558 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 43.2 m80 -62.13 -30.53 71.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.578 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.412 ' CB ' HG13 ' A' ' 82' ' ' ILE . 1.5 t-20 -60.31 -50.79 72.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.542 HG22 ' O ' ' A' ' 83' ' ' ILE . 1.1 tp -64.78 -29.91 48.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.791 ' HB1' ' HA ' ' A' ' 20' ' ' LEU . . . -54.6 -50.46 67.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.485 ' O ' ' CB ' ' A' ' 27' ' ' SER . 5.6 mtp180 -68.41 -41.88 79.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.548 ' CE1' HG12 ' A' ' 93' ' ' ILE . 60.5 t60 -60.35 -16.32 33.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.605 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 1.192 HD22 ' CD1' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -59.84 -65.37 0.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.266 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 1.174 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -56.67 -54.72 42.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.341 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -52.13 -27.77 15.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.548 HG12 ' CE1' ' A' ' 89' ' ' HIS . 1.0 OUTLIER -70.67 -38.03 71.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.269 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -59.62 -53.85 42.61 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.501 1.126 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -63.95 -51.38 64.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 0.759 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -57.56 -42.87 83.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.266 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.532 ' HB2' ' O ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -54.06 -44.84 71.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 110.97 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.55 -29.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.44 ' N ' ' C ' ' A' ' 97' ' ' MET . 1.6 t-80 -55.69 -52.17 64.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 109.622 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 97' ' ' MET . 13.5 p-10 -146.96 86.57 1.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.623 HG22 ' O ' ' A' ' 101' ' ' ILE . 0.2 OUTLIER -143.46 101.77 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.859 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 6.8 mt-30 159.39 52.0 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.334 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.859 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.2 Cg_endo -75.05 4.57 4.65 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.515 1.797 . . . . 0.0 111.026 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.703 ' O ' HD12 ' A' ' 105' ' ' LEU . 0.8 OUTLIER 177.38 -0.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.561 1.163 . . . . 0.0 110.365 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.703 HD12 ' O ' ' A' ' 104' ' ' THR . 3.0 mt 107.8 46.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 1.129 HG12 ' CE2' ' A' ' 138' ' ' PHE . 0.0 OUTLIER -52.26 -93.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.472 ' HG2' ' CG2' ' A' ' 101' ' ' ILE . 0.0 OUTLIER -46.47 -19.54 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.295 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.521 ' HB3' ' HB3' ' A' ' 105' ' ' LEU . 0.6 OUTLIER -69.39 -54.71 13.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 110.272 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 1.239 HD12 ' N ' ' A' ' 110' ' ' ALA . 1.3 pp -63.43 -59.88 4.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.447 1.092 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 1.239 ' N ' HD12 ' A' ' 109' ' ' LEU . . . -44.95 -48.34 11.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.447 ' CB ' ' O ' ' A' ' 107' ' ' ARG . . . -62.28 -20.13 63.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 1.049 ' CD ' ' O ' ' A' ' 109' ' ' LEU . 0.2 OUTLIER -54.89 -49.55 70.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.308 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 1.082 ' CD2' ' O ' ' A' ' 110' ' ' ALA . 2.4 p90 -63.88 -41.41 97.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.854 ' HG3' HD23 ' A' ' 155' ' ' LEU . 8.2 ttp . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.754 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.525 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 3.3 t-20 -70.85 -31.82 68.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.492 ' O ' ' HB3' ' A' ' 129' ' ' LYS . 0.0 OUTLIER -44.38 -59.35 2.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 108.293 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.821 ' HA ' ' CZ ' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -51.39 -69.36 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -45.97 -29.09 1.31 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.525 ' HB2' ' O ' ' A' ' 125' ' ' ASN . 0.0 OUTLIER -59.66 -31.06 69.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 109.311 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.967 ' HB2' ' CD2' ' A' ' 113' ' ' PHE . . . -71.66 -47.43 54.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 1.015 HD12 ' SD ' ' A' ' 148' ' ' MET . 0.0 OUTLIER -39.97 -45.96 1.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.538 ' O ' ' HB ' ' A' ' 136' ' ' THR . 0.1 OUTLIER -70.67 -41.04 72.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.903 ' HB3' HD13 ' A' ' 109' ' ' LEU . 7.9 mm-40 -64.77 -61.35 2.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.316 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 1.056 HG23 ' CD2' ' A' ' 138' ' ' PHE . 0.2 OUTLIER -44.13 -44.82 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.736 ' O ' ' CG ' ' A' ' 139' ' ' PRO . 37.5 mtmt -72.25 -31.52 65.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.806 HG22 ' O ' ' A' ' 133' ' ' GLU . 0.7 OUTLIER -58.49 -20.13 43.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.364 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.845 ' HB3' ' CE1' ' A' ' 138' ' ' PHE . . . -114.76 -46.86 2.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 1.129 ' CE2' HG12 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -118.16 58.58 3.15 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.165 . . . . 0.0 110.974 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.736 ' CG ' ' O ' ' A' ' 135' ' ' LYS . 18.2 Cg_endo -75.0 149.17 36.3 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.489 1.784 . . . . 0.0 110.945 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 140' ' ' ARG . . . . . 0.798 ' HB2' ' CG ' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 162.82 -171.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.352 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 141' ' ' ASP . . . . . 0.578 ' O ' ' N ' ' A' ' 145' ' ' ASP . 1.7 m-20 -84.77 -141.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 142' ' ' MET . . . . . 0.45 ' O ' ' HB3' ' A' ' 146' ' ' LYS . 31.9 mmt -49.04 -33.94 12.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 111.021 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.38 -67.79 0.27 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 144' ' ' ASN . . . . . 0.858 ' HB3' ' O ' ' A' ' 138' ' ' PHE . 0.9 OUTLIER -76.43 -44.61 35.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 145' ' ' ASP . . . . . 0.578 ' N ' ' O ' ' A' ' 141' ' ' ASP . 7.7 t70 -36.9 -50.53 0.87 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.45 ' HB3' ' O ' ' A' ' 142' ' ' MET . 0.5 OUTLIER -54.43 -32.08 56.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.739 ' N ' ' O ' ' A' ' 144' ' ' ASN . . . -57.03 -55.25 37.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.586 1.179 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 148' ' ' MET . . . . . 1.015 ' SD ' HD12 ' A' ' 131' ' ' LEU . 0.0 OUTLIER -51.35 -42.84 61.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 111.055 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.882 ' N ' ' HG3' ' A' ' 148' ' ' MET . 2.1 tp -55.62 -43.94 76.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 150' ' ' ILE . . . . . 0.644 HD12 ' HA ' ' A' ' 147' ' ' ALA . 52.8 mt -55.46 -32.35 29.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 151' ' ' MET . . . . . 0.807 ' HE3' ' O ' ' A' ' 106' ' ' VAL . 23.5 mmm -57.69 -52.81 63.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 152' ' ' THR . . . . . 0.912 HG21 ' HB2' ' A' ' 177' ' ' PHE . 44.8 p -53.87 -47.98 70.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.39 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 153' ' ' MET . . . . . 0.519 ' HE2' HG22 ' A' ' 93' ' ' ILE . 2.7 mpp? -62.79 -27.54 69.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.952 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.977 ' C ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -57.27 -57.27 13.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 1.049 HD21 ' CZ ' ' A' ' 113' ' ' PHE . 5.4 mp -48.31 -49.36 34.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 1.028 ' O ' ' O ' ' A' ' 159' ' ' VAL . . . -64.82 -46.29 82.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.346 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 7.5 tptp -48.67 -51.87 26.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.35 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 158' ' ' LYS . . . . . 0.818 ' O ' ' N ' ' A' ' 163' ' ' ALA . 0.0 OUTLIER -78.2 -51.52 10.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 109.295 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 159' ' ' VAL . . . . . 1.028 ' O ' ' O ' ' A' ' 156' ' ' ALA . 57.7 t -90.48 154.97 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.943 ' CB ' HG11 ' A' ' 170' ' ' VAL . . . 70.92 -47.75 0.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 161' ' ' SER . . . . . 0.469 ' H ' ' C ' ' A' ' 159' ' ' VAL . 0.2 OUTLIER -96.2 -9.51 30.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.951 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 162' ' ' HIS . . . . . 0.646 ' CB ' ' O ' ' A' ' 158' ' ' LYS . 0.1 OUTLIER -151.53 -35.64 0.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.573 1.17 . . . . 0.0 109.606 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 0.982 ' HB3' ' HA ' ' A' ' 159' ' ' VAL . . . -113.45 98.2 45.9 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 53.92 3.48 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.499 1.789 . . . . 0.0 111.007 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 165' ' ' SER . . . . . 0.574 ' C ' HD13 ' A' ' 166' ' ' LEU . 3.9 m -111.13 -65.3 1.18 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.004 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.631 ' O ' ' N ' ' A' ' 170' ' ' VAL . 0.2 OUTLIER -105.89 53.14 0.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.336 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 167' ' ' LEU . . . . . 1.048 ' O ' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -52.32 -59.07 4.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 168' ' ' ARG . . . . . 0.993 ' N ' HD22 ' A' ' 167' ' ' LEU . 0.7 OUTLIER -58.16 -48.78 79.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.318 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 169' ' ' ASP . . . . . 0.615 ' N ' ' CG ' ' A' ' 168' ' ' ARG . 0.2 OUTLIER -62.33 -36.56 82.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 170' ' ' VAL . . . . . 0.943 HG11 ' CB ' ' A' ' 160' ' ' ALA . 1.0 OUTLIER -50.37 -57.78 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 171' ' ' PHE . . . . . 0.952 ' CE1' HD22 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -50.12 -53.65 25.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 172' ' ' HIS . . . . . 0.632 ' O ' ' CB ' ' A' ' 176' ' ' ASN . 2.2 t60 -54.35 -29.18 47.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.569 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 173' ' ' THR . . . . . 0.866 ' O ' ' HB ' ' A' ' 152' ' ' THR . 2.1 m -56.6 -57.24 13.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.396 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 174' ' ' THR . . . . . 0.557 ' HA ' ' CB ' ' A' ' 152' ' ' THR . 32.7 p -53.79 -64.77 0.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.402 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 175' ' ' VAL . . . . . 1.042 HG13 HG22 ' A' ' 17' ' ' THR . 33.3 t -72.42 9.26 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 176' ' ' ASN . . . . . 0.795 ' HB3' ' O ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -77.44 -55.62 5.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 177' ' ' PHE . . . . . 0.912 ' HB2' HG21 ' A' ' 152' ' ' THR . 3.6 m-30 -62.09 -51.77 66.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 178' ' ' ILE . . . . . 0.919 HD11 HD21 ' A' ' 90' ' ' LEU . 2.4 mt -55.2 -45.26 77.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -58.63 -39.98 82.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -94.7 1.38 55.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.275 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 181' ' ' ASN . . . . . 0.789 ' ND2' HD22 ' A' ' 182' ' ' LEU . 57.5 t30 -97.62 -143.49 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 182' ' ' LEU . . . . . 0.845 HD13 ' N ' ' A' ' 182' ' ' LEU . 0.0 OUTLIER -95.29 41.96 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 183' ' ' PHE . . . . . 0.646 ' O ' ' CD2' ' A' ' 183' ' ' PHE . 5.3 t80 21.08 95.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 184' ' ' SER . . . . . 0.621 ' CB ' ' O ' ' A' ' 183' ' ' PHE . 2.0 m 95.57 70.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.974 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 185' ' ' TYR . . . . . 0.463 ' CD1' ' OD1' ' A' ' 145' ' ' ASP . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.989 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 ptt? . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.5 0.19 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 168.62 127.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 175.94 128.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.992 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 175.95 120.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 110.27 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.402 ' O ' ' CB ' ' A' ' 6' ' ' SER . 12.2 p -164.86 146.49 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' ' 5' ' ' VAL . 0.5 OUTLIER 166.69 129.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.995 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 32.0 t30 176.48 160.7 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 109.26 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 142.2 112.28 0.9 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.461 1.101 . . . . 0.0 110.97 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.9 t -148.44 160.99 42.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 0.78 . . . . 0.0 109.975 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.45 -173.32 14.66 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.499 1.125 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 mm? 66.26 135.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 0.749 . . . . 0.0 109.33 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.553 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . 115.61 -149.67 18.8 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.545 1.153 . . . . 0.0 111.009 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.553 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . 74.03 129.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 0.747 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.496 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.2 OUTLIER -169.81 145.83 3.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 38.6 m80 -63.61 -52.11 62.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.602 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.7 ' CG1' ' CZ ' ' A' ' 183' ' ' PHE . 8.6 tp -62.78 -31.93 53.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.806 HG23 HG13 ' A' ' 175' ' ' VAL . 0.9 OUTLIER -53.33 -63.52 1.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.416 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -51.7 -35.82 44.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.593 HD13 ' NE2' ' A' ' 84' ' ' HIS . 1.0 OUTLIER -56.51 -33.16 65.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.083 HD21 HD22 ' A' ' 90' ' ' LEU . 1.5 tm? -65.24 -42.77 93.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.962 ' HB ' HG21 ' A' ' 175' ' ' VAL . 0.4 OUTLIER -63.89 -63.62 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 1.118 ' CE1' HD12 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -63.37 -32.0 73.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 111.01 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.543 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -74.29 -40.22 41.6 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 1.263 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 0.5 OUTLIER -51.89 -55.18 21.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 0.761 . . . . 0.0 111.047 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 1.052 HD22 HD12 ' A' ' 38' ' ' LEU . 6.3 tp -60.88 -42.79 98.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.8 tm0? -49.23 -33.28 12.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.508 ' CB ' ' HB2' ' A' ' 88' ' ' ARG . 0.1 OUTLIER -82.88 -57.03 3.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.036 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.46 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 11.8 t -145.29 -141.87 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.049 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.539 ' HA3' HD12 ' A' ' 25' ' ' LEU . . . 81.78 -144.09 23.84 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.436 1.085 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.755 ' H ' HD11 ' A' ' 25' ' ' LEU . 34.6 t -56.06 -110.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.425 ' O ' ' HB3' ' A' ' 34' ' ' GLU . 5.1 m -140.96 170.3 15.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.45 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 1.047 ' O ' HD23 ' A' ' 35' ' ' LEU . 14.3 ptt180 -49.6 -55.3 14.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.259 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -51.85 -27.66 13.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.165 . . . . 0.0 110.316 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.721 ' CG ' HD21 ' A' ' 25' ' ' LEU . 2.9 tp10 -68.11 -57.48 6.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 110.276 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 1.118 HD12 ' CE1' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -46.57 -32.57 3.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.542 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 5.2 tt0 -68.12 -46.62 70.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.804 HG13 HD23 ' A' ' 167' ' ' LEU . 0.3 OUTLIER -65.73 -56.77 13.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.052 HD12 HD22 ' A' ' 25' ' ' LEU . 5.1 mt -67.45 -49.4 63.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.419 1.074 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.732 ' HA3' ' CD1' ' A' ' 22' ' ' PHE . . . -57.62 -41.52 93.7 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.542 ' CB ' ' O ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -50.65 97.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 0.761 . . . . 0.0 110.275 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.438 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 0.9 OUTLIER -143.33 130.48 20.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 110.318 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -101.01 105.93 41.53 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.492 ' CD ' ' HB2' ' A' ' 47' ' ' TYR . 18.3 Cg_endo -75.04 -163.72 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.51 1.795 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.506 ' O ' ' CG ' ' A' ' 45' ' ' GLN . 54.4 t -88.1 86.85 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.53 ' O ' ' HB2' ' A' ' 46' ' ' ALA . 2.8 mm-40 159.73 -92.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.265 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.53 ' HB2' ' O ' ' A' ' 45' ' ' GLN . . . 174.21 63.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.514 ' O ' ' CB ' ' A' ' 48' ' ' TRP . 33.1 t80 -41.19 164.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.969 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.514 ' CB ' ' O ' ' A' ' 47' ' ' TYR . 0.1 OUTLIER 161.1 136.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 108.037 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.701 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 3.9 tt0 -146.1 -150.64 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.701 ' HB2' ' O ' ' A' ' 49' ' ' GLU . . . 162.63 163.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.468 ' O ' ' C ' ' A' ' 52' ' ' LEU . 5.7 t0 -172.24 108.09 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.468 ' C ' ' O ' ' A' ' 51' ' ' ASP . 1.3 pt? -35.22 150.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.74 172.78 7.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 110.338 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -122.0 169.57 10.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -153.97 -179.79 8.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.31 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.68 -179.22 7.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -163.39 126.76 2.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 26.8 p -87.8 -168.58 2.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.401 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -156.36 156.76 34.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -125.93 -98.33 1.11 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.3 p 79.05 153.34 0.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 0.755 . . . . 0.0 109.965 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -134.91 -66.88 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.6 117.32 3.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 49.8 m -166.13 125.34 1.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.985 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 66' ' ' SER . 12.0 ttp-105 -91.98 145.13 24.78 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 110.33 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 65' ' ' ARG . 55.7 p -35.92 105.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.004 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -177.88 93.88 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 176.22 156.73 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -175.17 73.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 166.9 133.02 1.46 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -149.38 45.12 0.96 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 0.767 . . . . 0.0 110.266 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.8 mp -88.96 146.97 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.65 159.02 32.01 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 157.22 42.85 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.492 1.785 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -156.12 111.42 2.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.81 122.97 9.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 109.965 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -119.57 119.59 34.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.1 t -162.56 102.85 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.002 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -134.13 123.22 24.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -78.27 160.94 27.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 66.74 115.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.254 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 3.7 pt -99.05 -37.26 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.65 ' O ' HG22 ' A' ' 86' ' ' ILE . 0.4 OUTLIER -52.24 -56.25 7.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.593 ' NE2' HD13 ' A' ' 19' ' ' LEU . 30.3 m80 -54.65 -39.22 67.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.556 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.496 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 0.9 OUTLIER -54.3 -44.17 71.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 109.268 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.65 HG22 ' O ' ' A' ' 83' ' ' ILE . 1.3 tp -61.4 -35.22 65.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.706 ' HB1' ' HA ' ' A' ' 20' ' ' LEU . . . -57.27 -58.91 6.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.508 ' HB2' ' CB ' ' A' ' 27' ' ' SER . 2.8 ptt180 -64.16 -37.34 87.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.428 ' N ' ' CG ' ' A' ' 88' ' ' ARG . 15.4 t-80 -57.1 -25.36 58.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.58 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 1.083 HD22 HD21 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -55.11 -60.05 3.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.321 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 1.263 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -54.76 -52.25 63.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -47.87 -35.07 9.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.313 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.921 HG22 ' CE ' ' A' ' 153' ' ' MET . 9.6 mm -70.66 -34.16 55.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.459 ' N ' ' SD ' ' A' ' 153' ' ' MET . . . -57.44 -52.9 48.97 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -60.05 -52.48 65.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -56.69 -41.23 76.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.524 ' CE ' HD13 ' A' ' 150' ' ' ILE . 0.0 OUTLIER -52.79 -44.86 66.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 97' ' ' MET . 22.3 t0 -39.06 -29.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.472 ' N ' ' C ' ' A' ' 97' ' ' MET . 20.1 t-160 -51.49 -53.5 36.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.137 . . . . 0.0 109.595 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 97' ' ' MET . 1.9 t-20 -147.77 85.93 1.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.849 HG23 ' O ' ' A' ' 101' ' ' ILE . 1.7 tt -118.73 72.69 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.737 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 6.3 mt-30 157.95 55.85 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.253 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.737 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.4 Cg_endo -74.96 7.16 2.97 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.466 1.771 . . . . 0.0 111.024 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.725 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 0.4 OUTLIER 177.58 7.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.397 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.725 ' HB2' ' O ' ' A' ' 104' ' ' THR . 6.0 mt 105.47 32.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.345 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.867 ' HA ' ' CZ ' ' A' ' 138' ' ' PHE . 2.1 t -63.17 -82.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.81 ' N ' HG12 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -53.34 -17.83 2.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.325 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.24 -50.49 70.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.338 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 1.179 HD12 ' N ' ' A' ' 110' ' ' ALA . 1.9 pp -62.38 -60.01 4.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 1.179 ' N ' HD12 ' A' ' 109' ' ' LEU . . . -48.57 -37.77 18.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -70.0 -23.1 63.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.775 ' CG ' ' O ' ' A' ' 109' ' ' LEU . 2.6 pt20 -55.26 -52.61 62.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 1.084 ' CD2' ' HB2' ' A' ' 130' ' ' ALA . 1.5 p90 -67.94 -39.06 83.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 111.063 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.709 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 8.9 tmm? -55.04 65.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.724 ' N ' ' O ' ' A' ' 113' ' ' PHE . 19.6 p-10 -145.33 155.19 43.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.258 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 59.58 154.53 0.02 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.522 1.139 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.628 ' HA ' HD11 ' A' ' 166' ' ' LEU . 13.7 p -85.03 10.47 11.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.75 . . . . 0.0 110.025 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.646 HD12 ' O ' ' A' ' 118' ' ' LEU . 0.9 OUTLIER -178.39 90.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.26 143.77 33.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.021 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 62.16 29.06 17.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 110.301 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.513 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 6.0 mp0 51.86 67.95 0.88 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.315 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.513 ' CB ' ' O ' ' A' ' 121' ' ' GLU . 5.4 m-20 154.48 106.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 109.264 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.455 ' CG ' ' O ' ' A' ' 117' ' ' SER . 0.0 OUTLIER -76.58 77.97 3.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.653 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER 166.72 -29.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.5 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 22.0 t-20 -68.1 -40.29 82.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.501 ' HB2' ' HB2' ' A' ' 113' ' ' PHE . 2.6 p -49.99 -55.36 14.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 108.323 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.888 ' HA ' ' CZ ' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -51.32 -70.63 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -43.38 -29.62 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.5 ' HB2' ' O ' ' A' ' 125' ' ' ASN . 4.9 tttp -63.36 -28.05 69.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 1.084 ' HB2' ' CD2' ' A' ' 113' ' ' PHE . . . -72.36 -47.48 49.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.957 HD13 ' SD ' ' A' ' 148' ' ' MET . 0.0 OUTLIER -40.8 -46.95 2.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.445 ' O ' ' HB ' ' A' ' 136' ' ' THR . 0.3 OUTLIER -68.85 -39.41 79.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.76 ' CB ' HD13 ' A' ' 109' ' ' LEU . 9.0 mt-10 -67.86 -61.07 2.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.271 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 1.175 HG23 ' CE2' ' A' ' 138' ' ' PHE . 0.2 OUTLIER -43.28 -42.36 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.591 ' O ' ' CD ' ' A' ' 139' ' ' PRO . 4.9 ttpt -72.55 -35.15 67.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.244 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.757 HG22 ' O ' ' A' ' 133' ' ' GLU . 0.7 OUTLIER -56.95 -26.49 59.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.396 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.866 ' HB3' ' CE1' ' A' ' 138' ' ' PHE . . . -102.42 -50.17 3.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 1.175 ' CE2' HG23 ' A' ' 134' ' ' VAL . 0.0 OUTLIER -117.78 62.53 4.03 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.81 ' C ' ' HB2' ' A' ' 144' ' ' ASN . 18.4 Cg_endo -74.97 156.31 43.11 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.456 1.766 . . . . 0.0 111.031 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.754 ' N ' ' CB ' ' A' ' 144' ' ' ASN . 21.9 mtt180 155.01 -169.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ASP . . . . . 0.702 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 41.5 m-20 -89.44 -103.64 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' MET . . . . . 0.592 ' CB ' ' CE2' ' A' ' 185' ' ' TYR . 17.1 ptt? -61.69 -32.84 73.07 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -62.32 1.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.254 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ASN . . . . . 0.81 ' HB2' ' C ' ' A' ' 139' ' ' PRO . 4.1 t30 -67.92 -59.29 3.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.702 ' CB ' ' O ' ' A' ' 141' ' ' ASP . 9.8 t70 -39.85 -52.89 2.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.896 ' O ' HG23 ' A' ' 150' ' ' ILE . 10.0 ttmt -66.75 -29.5 69.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.602 ' N ' ' O ' ' A' ' 144' ' ' ASN . . . -63.23 -59.61 4.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' MET . . . . . 0.957 ' SD ' HD13 ' A' ' 131' ' ' LEU . 1.4 ptp -50.65 -44.51 57.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 110.965 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.664 ' N ' ' HG3' ' A' ' 148' ' ' MET . 0.5 OUTLIER -53.12 -43.64 67.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 0.0 109.269 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.896 HG23 ' O ' ' A' ' 146' ' ' LYS . 0.6 OUTLIER -53.58 -31.51 19.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 151' ' ' MET . . . . . 1.094 ' O ' ' CD2' ' A' ' 155' ' ' LEU . 5.3 mmm -63.88 -54.68 30.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 152' ' ' THR . . . . . 0.918 HG23 ' HA ' ' A' ' 174' ' ' THR . 0.6 OUTLIER -42.77 -52.53 4.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 110.387 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 153' ' ' MET . . . . . 0.921 ' CE ' HG22 ' A' ' 93' ' ' ILE . 10.8 ptt? -69.49 -25.47 64.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.964 ' C ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -57.59 -51.75 68.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 1.094 ' CD2' ' O ' ' A' ' 151' ' ' MET . 0.0 OUTLIER -52.0 -57.43 9.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.947 ' HA ' HG22 ' A' ' 170' ' ' VAL . . . -55.66 -53.88 51.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.507 ' HB2' ' O ' ' A' ' 153' ' ' MET . 0.0 OUTLIER -43.24 -54.21 4.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 158' ' ' LYS . . . . . 0.938 ' O ' ' N ' ' A' ' 162' ' ' HIS . 0.0 OUTLIER -78.53 -56.81 4.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.285 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 159' ' ' VAL . . . . . 1.122 ' CG1' ' HB3' ' A' ' 163' ' ' ALA . 49.1 t -49.6 -57.74 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.699 ' N ' ' O ' ' A' ' 156' ' ' ALA . . . -32.65 -40.2 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 161' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 159' ' ' VAL . 0.4 OUTLIER -116.22 -12.19 11.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.976 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 162' ' ' HIS . . . . . 0.938 ' N ' ' O ' ' A' ' 158' ' ' LYS . 19.2 t60 -93.82 -49.37 5.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.566 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 1.122 ' HB3' ' CG1' ' A' ' 159' ' ' VAL . . . -116.81 81.42 11.91 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -3.47 13.97 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.511 1.795 . . . . 0.0 111.017 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.19 -12.27 23.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.965 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.831 HD22 ' CB ' ' A' ' 169' ' ' ASP . 10.6 mt -111.83 40.55 2.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 167' ' ' LEU . . . . . 0.984 ' O ' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -51.33 -60.56 2.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 168' ' ' ARG . . . . . 0.924 ' H ' HD13 ' A' ' 167' ' ' LEU . 21.6 ptt180 -53.81 -45.72 70.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.278 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 169' ' ' ASP . . . . . 0.831 ' CB ' HD22 ' A' ' 166' ' ' LEU . 0.3 OUTLIER -64.33 -37.72 88.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 170' ' ' VAL . . . . . 0.947 HG22 ' HA ' ' A' ' 156' ' ' ALA . 0.4 OUTLIER -48.51 -55.52 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 171' ' ' PHE . . . . . 0.971 ' CE1' HD22 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -60.5 -48.04 83.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.085 . . . . 0.0 110.987 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 172' ' ' HIS . . . . . 0.527 ' CE1' ' NH1' ' A' ' 124' ' ' ARG . 1.2 t60 -52.98 -36.21 59.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.629 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 173' ' ' THR . . . . . 1.065 HG21 ' CB ' ' A' ' 155' ' ' LEU . 93.3 m -58.62 -47.93 82.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.367 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 174' ' ' THR . . . . . 0.918 ' HA ' HG23 ' A' ' 152' ' ' THR . 16.1 p -61.64 -63.51 1.25 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 110.416 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 175' ' ' VAL . . . . . 0.962 HG21 ' HB ' ' A' ' 21' ' ' VAL . 2.3 t -70.12 8.43 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 176' ' ' ASN . . . . . 0.712 ' HB2' ' CD1' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -77.34 -59.32 2.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 177' ' ' PHE . . . . . 0.857 ' CE2' ' HB2' ' A' ' 151' ' ' MET . 2.6 m-30 -61.23 -52.88 62.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.97 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 178' ' ' ILE . . . . . 0.73 HD11 HG23 ' A' ' 17' ' ' THR . 0.0 OUTLIER -56.46 -43.17 77.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.312 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 179' ' ' ASN . . . . . 0.632 ' CB ' ' O ' ' A' ' 175' ' ' VAL . 7.4 t-20 -63.86 -43.26 96.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.68 -23.51 53.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.282 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 1.013 ' ND2' HD22 ' A' ' 182' ' ' LEU . 24.6 t30 -101.31 -154.35 0.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 182' ' ' LEU . . . . . 1.013 HD22 ' ND2' ' A' ' 181' ' ' ASN . 0.0 OUTLIER -94.74 75.29 3.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.254 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 183' ' ' PHE . . . . . 0.7 ' CZ ' ' CG1' ' A' ' 16' ' ' ILE . 0.7 OUTLIER 22.17 -86.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.967 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 184' ' ' SER . . . . . 0.64 ' N ' ' CG ' ' A' ' 183' ' ' PHE . 2.2 t -116.01 113.5 23.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.024 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 185' ' ' TYR . . . . . 0.592 ' CE2' ' CB ' ' A' ' 142' ' ' MET . 68.1 t80 -44.29 -30.84 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.988 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 186' ' ' VAL . . . . . 0.71 ' O ' HG23 ' A' ' 190' ' ' VAL . 48.4 t -72.05 -39.0 65.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 184' ' ' SER . 15.3 tpt180 -54.06 -53.83 47.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 110.309 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 188' ' ' ASN . . . . . 0.438 ' OD1' ' C ' ' A' ' 185' ' ' TYR . 0.9 OUTLIER -61.93 -44.31 97.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 18.5 tp -54.1 -44.03 70.88 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 190' ' ' VAL . . . . . 0.71 HG23 ' O ' ' A' ' 186' ' ' VAL . 72.7 t -57.98 -46.23 87.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 3.5 mtt-85 -59.65 -50.99 71.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.254 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 26.5 m-20 -54.97 -48.78 72.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.62 158.64 35.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 194' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER 70.51 138.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 111.024 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.972 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 tpt . . . . . 0 N--CA 1.454 -0.257 0 CA-C-O 120.49 0.186 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -52.89 159.68 1.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.0 p -154.04 136.55 15.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.973 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -101.47 71.29 1.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.284 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.3 p -92.95 -29.34 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t 63.97 143.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.02 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -100.91 151.23 21.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.461 ' CA ' ' HG2' ' A' ' 73' ' ' GLU . . . -131.24 -118.64 2.01 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.84 179.24 6.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 0.78 . . . . 0.0 109.983 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.67 -179.13 16.63 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.501 1.126 . . . . 0.0 111.038 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.0 tt -73.88 -60.05 2.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.766 . . . . 0.0 109.28 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.05 46.97 0.53 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.444 1.09 . . . . 0.0 111.04 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -135.63 40.99 2.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 0.754 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.499 ' O ' ' CB ' ' A' ' 17' ' ' THR . 10.2 ptpt -179.9 -38.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.508 ' C ' ' H ' ' A' ' 17' ' ' THR . 30.6 m-70 -54.6 -38.88 67.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.613 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.2 tp -55.21 -8.92 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.27 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.906 HG23 HD11 ' A' ' 178' ' ' ILE . 1.2 m -51.79 -67.37 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.403 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -49.54 -37.25 26.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 23' ' ' GLY . 1.0 OUTLIER -58.33 -31.33 67.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.155 HD21 HD22 ' A' ' 90' ' ' LEU . 1.0 OUTLIER -66.61 -45.28 79.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 1.077 ' HB ' HG21 ' A' ' 175' ' ' VAL . 0.4 OUTLIER -62.76 -61.38 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 1.105 ' CD1' HD21 ' A' ' 35' ' ' LEU . 1.6 t80 -62.67 -31.47 72.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 111.011 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -74.33 -37.08 48.61 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 1.197 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 0.5 OUTLIER -57.8 -59.75 4.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 0.792 . . . . 0.0 110.955 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 1.081 HD22 ' CE1' ' A' ' 171' ' ' PHE . 9.6 tp -54.81 -42.03 71.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.63 -29.89 71.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.264 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.591 ' HB3' ' HB3' ' A' ' 91' ' ' ALA . 10.8 t -50.04 -59.8 3.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.019 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.05 -44.92 5.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.016 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.579 ' N ' ' O ' ' A' ' 25' ' ' LEU . . . 91.53 89.53 1.42 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.493 ' HB2' HD11 ' A' ' 25' ' ' LEU . 0.5 OUTLIER -80.03 -59.93 2.53 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.906 HG22 ' H ' ' A' ' 34' ' ' GLU . 1.0 OUTLIER -141.87 119.57 11.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.581 1.176 . . . . 0.0 110.417 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -44.65 -59.43 2.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.561 ' O ' ' HB ' ' A' ' 37' ' ' VAL . 64.0 tt0 -59.34 -25.78 64.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.251 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.906 ' H ' HG22 ' A' ' 31' ' ' THR . 2.2 mt-10 -67.85 -62.9 1.2 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 1.105 HD21 ' CD1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -47.53 -39.67 16.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.451 ' O ' ' O ' ' A' ' 40' ' ' ARG . 3.0 tm-20 -70.16 -48.27 58.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.696 HG13 ' CD2' ' A' ' 167' ' ' LEU . 0.3 OUTLIER -67.32 -55.33 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.005 ' HB3' ' CG ' ' A' ' 171' ' ' PHE . 11.8 mt -66.82 -45.48 78.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.841 ' HA3' ' CD2' ' A' ' 22' ' ' PHE . . . -52.15 -47.1 55.89 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.551 1.157 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.451 ' O ' ' O ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER 175.39 131.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 0.78 . . . . 0.0 110.28 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -107.67 139.44 42.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 110.288 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -100.38 125.97 37.58 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -164.41 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.553 1.817 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.1 p -42.74 160.01 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.565 1.166 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 64.24 49.28 2.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.262 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.46 ' O ' ' C ' ' A' ' 47' ' ' TYR . . . -168.91 79.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.489 ' O ' ' C ' ' A' ' 48' ' ' TRP . 14.8 t80 -33.05 101.81 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.489 ' C ' ' O ' ' A' ' 47' ' ' TYR . 24.9 p-90 -34.74 128.0 0.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 108.02 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.692 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -45.06 159.25 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.32 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.692 ' HB2' ' O ' ' A' ' 49' ' ' GLU . . . 161.49 59.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.571 1.169 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 0.4 OUTLIER -178.01 162.7 1.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' A' ' 51' ' ' ASP . 1.9 tp 178.86 60.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -172.04 69.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.324 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.529 ' OD1' HD12 ' A' ' 56' ' ' LEU . 13.8 t70 -147.2 156.39 42.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -156.56 120.7 4.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 110.258 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.529 HD12 ' OD1' ' A' ' 54' ' ' ASP . 0.3 OUTLIER -122.87 171.77 8.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.4 tm0? -175.0 104.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.411 ' CG2' ' N ' ' A' ' 59' ' ' ASP . 4.9 t -86.42 -45.75 10.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.387 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.411 ' N ' ' CG2' ' A' ' 58' ' ' THR . 23.0 t70 -178.4 169.27 1.81 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 172.38 94.72 0.1 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 62.9 p -141.7 78.86 1.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 0.76 . . . . 0.0 110.045 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.31 120.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.276 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -157.3 71.44 0.65 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.15 . . . . 0.0 109.243 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 94.1 p -111.28 107.55 16.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.03 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.53 ' O ' ' CB ' ' A' ' 66' ' ' SER . 1.7 mtt180 -152.06 -57.3 0.14 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.546 1.154 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.53 ' CB ' ' O ' ' A' ' 65' ' ' ARG . 0.9 OUTLIER 156.39 103.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.007 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 34.1 p90 -104.13 157.42 17.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 111.002 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 177.55 90.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -63.63 156.39 26.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -94.94 58.51 1.77 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -95.18 -166.91 1.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 110.242 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.477 HG22 ' N ' ' A' ' 73' ' ' GLU . 12.6 mm -61.02 164.79 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.477 ' N ' HG22 ' A' ' 72' ' ' ILE . 3.0 tt0 -124.05 76.35 59.02 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -165.48 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.499 1.789 . . . . 0.0 111.025 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -93.09 88.67 6.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.5 t -171.14 154.59 4.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.998 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.489 ' O ' ' CB ' ' A' ' 78' ' ' SER . 2.3 tm-20 -168.62 61.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 77' ' ' GLU . 0.5 OUTLIER 160.71 161.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.999 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -174.83 44.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.258 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -176.8 94.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.271 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 177.15 -174.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.572 1.17 . . . . 0.0 110.281 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 22.9 mm -84.56 -20.28 8.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.583 ' O ' HG22 ' A' ' 86' ' ' ILE . 0.6 OUTLIER -52.2 -51.27 32.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.257 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.488 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 41.2 m80 -57.07 -39.66 75.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.598 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.443 ' O ' ' CG ' ' A' ' 88' ' ' ARG . 4.0 t-20 -53.1 -45.36 68.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.583 HG22 ' O ' ' A' ' 83' ' ' ILE . 0.7 OUTLIER -62.51 -39.45 84.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.834 ' HA ' HD23 ' A' ' 20' ' ' LEU . . . -53.43 -55.33 26.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.519 ' O ' ' CB ' ' A' ' 27' ' ' SER . 13.0 ptm180 -66.69 -37.84 85.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 0.0 110.31 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.488 ' CD2' HD11 ' A' ' 93' ' ' ILE . 3.2 t60 -53.99 -23.22 12.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.61 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 1.155 HD22 HD21 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -59.17 -62.08 2.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 1.197 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -53.96 -53.9 46.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.272 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -48.47 -34.08 10.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.331 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 97' ' ' MET . 20.6 mt -71.44 -31.29 42.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 91' ' ' ALA . . . -60.24 -52.87 50.09 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -60.95 -52.35 65.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 0.739 . . . . 0.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -61.92 -39.22 91.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.283 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.565 ' SD ' ' CZ ' ' A' ' 107' ' ' ARG . 6.3 mmt -50.9 -43.95 59.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 111.035 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.421 ' HA ' ' CD1' ' A' ' 101' ' ' ILE . 16.5 t70 -38.17 -30.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.466 ' N ' ' C ' ' A' ' 97' ' ' MET . 57.1 t60 -49.52 -42.61 44.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.598 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.446 ' O ' ' NE ' ' A' ' 107' ' ' ARG . 4.8 m-80 -145.49 88.76 1.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.567 ' O ' ' CB ' ' A' ' 102' ' ' GLN . 10.5 mt -116.38 71.95 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.922 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 0.0 OUTLIER 154.67 51.19 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 110.294 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.922 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.4 Cg_endo -75.0 74.77 3.9 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.507 1.793 . . . . 0.0 111.028 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.695 ' O ' ' CB ' ' A' ' 105' ' ' LEU . 3.2 m 92.4 4.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 110.424 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.792 HD23 ' O ' ' A' ' 105' ' ' LEU . 3.9 tt 105.45 26.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 1.071 HG22 ' CD1' ' A' ' 138' ' ' PHE . 1.3 t -71.6 -83.02 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.903 ' N ' HG12 ' A' ' 106' ' ' VAL . 5.1 mtt-85 -54.03 -17.0 2.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -67.96 -49.43 61.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.322 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 1.272 HD12 ' N ' ' A' ' 110' ' ' ALA . 0.6 OUTLIER -55.3 -55.2 34.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.316 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 1.272 ' N ' HD12 ' A' ' 109' ' ' LEU . . . -48.02 -40.96 24.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.332 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.11 -23.24 67.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.246 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.754 ' CG ' ' O ' ' A' ' 109' ' ' LEU . 2.0 pt20 -56.43 -52.67 63.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 110.332 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 1.193 ' CD2' ' HB2' ' A' ' 130' ' ' ALA . 2.7 p90 -66.28 -38.99 89.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.988 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.716 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 9.2 tpt -51.13 78.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.62 ' N ' ' O ' ' A' ' 113' ' ' PHE . 23.8 p30 -145.61 -162.32 1.49 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 115' ' ' ASN . . . 49.79 177.47 0.02 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.516 ' C ' HD22 ' A' ' 118' ' ' LEU . 0.5 OUTLIER -156.35 73.41 0.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 0.792 . . . . 0.0 109.987 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.686 HD11 ' OD1' ' A' ' 169' ' ' ASP . 1.5 mm? 73.32 89.47 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.483 ' O ' ' CB ' ' A' ' 120' ' ' GLU . 8.2 t -124.45 116.71 22.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.024 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.563 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 2.2 tt0 84.5 -32.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.253 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.563 ' CB ' ' O ' ' A' ' 120' ' ' GLU . 3.1 mm-40 154.56 54.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.312 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.478 ' HA ' HD13 ' A' ' 118' ' ' LEU . 12.0 t0 78.85 152.1 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 124' ' ' ARG . 0.0 OUTLIER -89.12 -100.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.822 ' HA ' HD11 ' A' ' 127' ' ' LEU . 0.5 OUTLIER 85.5 -36.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.582 ' O ' ' CB ' ' A' ' 129' ' ' LYS . 7.6 p30 -69.43 -40.59 77.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.904 ' SG ' HD23 ' A' ' 127' ' ' LEU . 22.4 p -53.41 -52.83 58.1 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 108.333 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.904 HD23 ' SG ' ' A' ' 126' ' ' CYS . 0.0 OUTLIER -57.32 -69.59 0.16 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.452 ' HB1' ' CD ' ' A' ' 180' ' ' GLN . . . -49.45 -29.52 6.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.582 ' CB ' ' O ' ' A' ' 125' ' ' ASN . 0.6 OUTLIER -63.06 -28.67 70.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 1.193 ' HB2' ' CD2' ' A' ' 113' ' ' PHE . . . -68.25 -49.53 60.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.666 ' HA ' ' HE1' ' A' ' 177' ' ' PHE . 0.4 OUTLIER -41.13 -45.45 2.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 1.072 ' O ' HG23 ' A' ' 136' ' ' THR . 2.2 m-20 -66.23 -41.29 90.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.753 ' O ' ' OG1' ' A' ' 136' ' ' THR . 2.7 mm-40 -69.22 -60.75 2.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.292 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 1.078 HG23 ' CE2' ' A' ' 138' ' ' PHE . 0.2 OUTLIER -44.99 -33.66 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.664 ' O ' ' CD ' ' A' ' 139' ' ' PRO . 0.0 OUTLIER -75.86 -45.44 35.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 136' ' ' THR . . . . . 1.072 HG23 ' O ' ' A' ' 132' ' ' ASP . 25.4 p -53.83 -24.28 15.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.414 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.92 ' HB3' ' CE1' ' A' ' 138' ' ' PHE . . . -100.74 -52.32 3.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 1.078 ' CE2' HG23 ' A' ' 134' ' ' VAL . 0.0 OUTLIER -118.25 62.5 4.68 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 111.012 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.772 ' C ' ' HB2' ' A' ' 144' ' ' ASN . 18.5 Cg_endo -75.0 154.48 42.52 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.529 1.805 . . . . 0.0 111.017 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.745 ' N ' ' CB ' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 157.45 -168.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ASP . . . . . 0.681 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 68.9 m-20 -88.89 -103.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' MET . . . . . 0.438 ' O ' ' CB ' ' A' ' 146' ' ' LYS . 1.8 mpt? -62.86 -32.02 73.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -67.98 -62.45 1.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' ASN . . . . . 0.772 ' HB2' ' C ' ' A' ' 139' ' ' PRO . 3.6 t30 -66.85 -57.03 7.81 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.681 ' CB ' ' O ' ' A' ' 141' ' ' ASP . 81.8 m-20 -41.04 -52.23 3.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 142' ' ' MET . 18.8 ttpt -65.86 -31.19 71.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.685 ' HB1' ' HD2' ' A' ' 138' ' ' PHE . . . -61.55 -57.25 12.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 148' ' ' MET . . . . . 0.94 ' HE3' HD11 ' A' ' 182' ' ' LEU . 73.9 mtm -50.51 -54.52 21.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 0.0 111.006 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.493 HD12 HG22 ' A' ' 178' ' ' ILE . 0.5 OUTLIER -54.46 -41.82 69.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.553 HG22 ' O ' ' A' ' 147' ' ' ALA . 0.2 OUTLIER -51.65 -32.59 14.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.266 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 151' ' ' MET . . . . . 1.132 ' O ' ' HG ' ' A' ' 154' ' ' LEU . 4.3 mmt -62.73 -55.14 29.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 152' ' ' THR . . . . . 0.939 HG23 ' HA ' ' A' ' 174' ' ' THR . 0.6 OUTLIER -39.68 -46.38 1.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 110.397 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 153' ' ' MET . . . . . 0.622 ' O ' ' HB3' ' A' ' 157' ' ' LYS . 2.5 mpp? -70.27 -26.64 63.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 1.132 ' HG ' ' O ' ' A' ' 151' ' ' MET . 0.4 OUTLIER -64.36 -43.79 93.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 109.311 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 1.165 HD11 ' CZ ' ' A' ' 113' ' ' PHE . 0.6 OUTLIER -52.82 -60.87 2.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.773 ' HB1' ' CB ' ' A' ' 160' ' ' ALA . . . -61.48 -53.82 51.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.248 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.693 ' HA ' ' HB2' ' A' ' 161' ' ' SER . 1.1 tptt -48.14 -39.62 21.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 158' ' ' LYS . . . . . 0.646 ' O ' ' CB ' ' A' ' 162' ' ' HIS . 1.9 mmtt -68.83 -52.78 26.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 159' ' ' VAL . . . . . 1.093 ' CG2' ' HB3' ' A' ' 163' ' ' ALA . 0.2 OUTLIER -99.21 -70.9 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.773 ' CB ' ' HB1' ' A' ' 156' ' ' ALA . . . -32.75 -32.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 161' ' ' SER . . . . . 0.693 ' HB2' ' HA ' ' A' ' 157' ' ' LYS . 0.1 OUTLIER -99.21 -13.41 19.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.998 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 162' ' ' HIS . . . . . 0.936 ' N ' ' O ' ' A' ' 159' ' ' VAL . 8.1 t-80 -124.35 -36.05 2.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.598 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 1.093 ' HB3' ' CG2' ' A' ' 159' ' ' VAL . . . -115.79 76.65 6.02 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 164' ' ' PRO . . . . . 0.492 ' HD3' ' C ' ' A' ' 162' ' ' HIS . 18.2 Cg_endo -75.0 43.78 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.488 1.783 . . . . 0.0 110.946 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 165' ' ' SER . . . . . 0.419 ' H ' ' C ' ' A' ' 163' ' ' ALA . 8.2 t -136.74 33.85 2.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 109.988 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.717 HD12 HG21 ' A' ' 159' ' ' VAL . 6.8 mt -118.6 117.76 29.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 167' ' ' LEU . . . . . 0.709 ' C ' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -64.37 -142.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.256 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 168' ' ' ARG . . . . . 0.696 ' HD2' HD13 ' A' ' 167' ' ' LEU . 0.7 OUTLIER -56.4 -8.58 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.31 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 169' ' ' ASP . . . . . 0.686 ' OD1' HD11 ' A' ' 118' ' ' LEU . 53.2 m-20 -59.47 -58.48 8.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 170' ' ' VAL . . . . . 0.533 HG22 ' HA ' ' A' ' 156' ' ' ALA . 0.4 OUTLIER -65.24 -52.87 47.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 171' ' ' PHE . . . . . 1.081 ' CE1' HD22 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -54.81 -43.35 72.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 172' ' ' HIS . . . . . 0.637 ' CB ' ' O ' ' A' ' 168' ' ' ARG . 8.6 t-80 -60.59 -35.51 76.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.566 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 173' ' ' THR . . . . . 1.075 HG21 ' CB ' ' A' ' 155' ' ' LEU . 78.3 m -54.63 -58.5 7.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.419 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 174' ' ' THR . . . . . 0.939 ' HA ' HG23 ' A' ' 152' ' ' THR . 0.5 OUTLIER -55.36 -58.68 6.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.416 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 175' ' ' VAL . . . . . 1.077 HG21 ' HB ' ' A' ' 21' ' ' VAL . 0.9 OUTLIER -71.38 4.53 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 176' ' ' ASN . . . . . 0.866 ' HB3' ' O ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -80.73 -58.15 3.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 177' ' ' PHE . . . . . 0.725 ' CZ ' ' HB2' ' A' ' 151' ' ' MET . 5.4 m-85 -56.96 -51.07 70.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 111.031 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 178' ' ' ILE . . . . . 1.063 HD12 ' HA ' ' A' ' 175' ' ' VAL . 0.1 OUTLIER -54.83 -46.28 75.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 179' ' ' ASN . . . . . 0.934 ' H ' HD13 ' A' ' 178' ' ' ILE . 0.6 OUTLIER -62.24 -35.39 78.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 180' ' ' GLN . . . . . 0.814 ' N ' ' OD1' ' A' ' 179' ' ' ASN . 79.5 mm-40 -56.19 -103.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 110.322 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 181' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -124.81 4.04 8.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 182' ' ' LEU . . . . . 0.94 HD11 ' HE3' ' A' ' 148' ' ' MET . 0.3 OUTLIER -96.63 15.08 22.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.263 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 183' ' ' PHE . . . . . 0.706 ' O ' ' CG ' ' A' ' 183' ' ' PHE . 0.2 OUTLIER -35.63 113.58 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 184' ' ' SER . . . . . 0.464 ' C ' ' O ' ' A' ' 183' ' ' PHE . 52.3 m 34.75 75.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.971 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 185' ' ' TYR . . . . . 0.415 ' C ' ' O ' ' A' ' 184' ' ' SER . 2.3 t80 -36.7 -50.36 0.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 186' ' ' VAL . . . . . 0.454 HG13 ' N ' ' A' ' 187' ' ' ARG . 14.7 p -56.65 -48.66 80.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 184' ' ' SER . 4.6 tpt180 -54.54 -44.58 72.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 188' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -53.15 -44.29 67.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 6.6 mt -56.78 -50.92 70.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 190' ' ' VAL . . . . . 0.448 HG12 ' O ' ' A' ' 187' ' ' ARG . 0.4 OUTLIER -56.61 -47.84 81.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 191' ' ' ARG . . . . . 0.444 ' N ' ' CG1' ' A' ' 190' ' ' VAL . 0.0 OUTLIER -55.33 -45.58 76.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -54.63 -49.25 70.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 51.81 -161.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 194' ' ' MET . . . . . . . . . . . . . 2.3 tmm? -136.95 77.91 1.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 111.022 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 15.7 t70 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.984 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.546 ' O ' ' CB ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.465 0.174 . . . . 0.0 111.044 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.546 ' CB ' ' O ' ' A' ' 1' ' ' MET . 0.1 OUTLIER 85.21 14.48 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -49.09 -60.79 2.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.057 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -107.24 159.12 16.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 32.6 m -129.22 166.76 26.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.353 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -159.96 92.15 1.0 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.034 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 26.1 p30 -163.5 149.09 11.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 122.29 79.01 0.48 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.453 1.096 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.7 t -132.06 96.95 4.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 109.964 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -89.71 123.68 7.04 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.502 1.126 . . . . 0.0 111.015 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.96 149.72 36.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 0.761 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -52.95 143.86 24.26 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.55 1.156 . . . . 0.0 111.011 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.417 ' O ' ' HD3' ' A' ' 14' ' ' LYS . . . -67.51 173.03 4.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.778 . . . . 0.0 109.35 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.417 ' HD3' ' O ' ' A' ' 13' ' ' ALA . 28.9 mmtt -133.99 113.76 12.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 63.6 t60 -62.96 -49.79 73.36 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.559 1.162 . . . . 0.0 109.607 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.591 HG21 ' CZ ' ' A' ' 183' ' ' PHE . 0.2 OUTLIER -53.85 -51.38 45.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . 1.06 HG21 ' N ' ' A' ' 179' ' ' ASN . 3.5 m -53.59 -46.61 70.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.364 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.99 -40.06 21.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.3 OUTLIER -67.42 -27.79 67.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.028 ' CD2' HD22 ' A' ' 90' ' ' LEU . 1.4 tm? -63.81 -44.95 91.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.949 ' HB ' HG21 ' A' ' 175' ' ' VAL . 0.5 OUTLIER -61.47 -62.23 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 1.115 ' CE2' HD21 ' A' ' 35' ' ' LEU . 10.6 t80 -61.09 -33.93 74.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -77.29 -35.65 37.08 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.496 1.123 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 1.178 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 2.2 t80 -51.83 -58.85 5.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 0.79 . . . . 0.0 110.982 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 1.159 HD22 ' CE1' ' A' ' 171' ' ' PHE . 0.3 OUTLIER -58.0 -43.36 86.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -54.17 -31.95 54.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.513 ' OG ' ' HG2' ' A' ' 88' ' ' ARG . 25.8 t -69.04 -97.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 110.034 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -140.96 20.06 2.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.572 1.17 . . . . 0.0 109.993 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.609 ' HA3' ' CE1' ' A' ' 24' ' ' PHE . . . -58.0 -108.66 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.435 1.084 . . . . 0.0 110.988 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.551 ' H ' HD12 ' A' ' 25' ' ' LEU . 33.0 t -84.36 -96.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.512 ' O ' ' N ' ' A' ' 34' ' ' GLU . 7.4 m -141.88 151.31 42.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.411 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.61 -54.67 3.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 110.343 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.424 ' O ' ' HB ' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -58.67 -26.1 63.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.646 ' C ' HD23 ' A' ' 25' ' ' LEU . 2.9 tp10 -66.54 -56.88 8.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 110.314 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 1.115 HD21 ' CE2' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -44.27 -39.33 4.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.366 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 1.101 ' N ' HD13 ' A' ' 35' ' ' LEU . 27.8 tt0 -77.62 -40.16 42.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.819 HG13 HD23 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -61.29 -57.73 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.059 ' HB2' ' CD2' ' A' ' 171' ' ' PHE . 8.4 mt -72.49 -39.26 67.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.765 ' HA3' ' CD1' ' A' ' 22' ' ' PHE . . . -50.7 -52.21 30.4 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.5 1.125 . . . . 0.0 111.048 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.435 ' HD3' ' CE1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER 174.41 139.63 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 0.772 . . . . 0.0 110.25 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -140.11 98.35 3.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.462 HD13 ' HD2' ' A' ' 43' ' ' PRO . 3.0 mm? -101.31 141.34 22.41 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.466 ' O ' ' N ' ' A' ' 45' ' ' GLN . 18.3 Cg_endo -75.02 173.08 15.12 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.538 1.809 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.702 ' O ' HG13 ' A' ' 44' ' ' VAL . 8.6 p -55.91 87.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 43' ' ' PRO . 0.0 OUTLIER 166.33 43.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.319 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 47' ' ' TYR . . . 179.66 176.96 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.504 ' O ' ' HB2' ' A' ' 48' ' ' TRP . 53.9 t80 -33.93 124.23 0.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.423 1.077 . . . . 0.0 110.963 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.504 ' HB2' ' O ' ' A' ' 47' ' ' TYR . 2.5 t90 176.72 -60.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 108.006 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.698 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 0.0 OUTLIER 77.02 -179.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.698 ' HB2' ' O ' ' A' ' 49' ' ' GLU . . . 160.66 97.66 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -44.42 153.31 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.432 HD22 ' HA ' ' A' ' 52' ' ' LEU . 0.3 OUTLIER -178.78 76.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -118.79 171.97 7.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 110.312 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -122.9 107.88 12.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -127.1 138.9 53.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.333 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 tp -167.44 -65.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 65.87 102.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.9 t -93.34 129.57 39.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.411 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -173.1 122.92 0.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.98 -160.26 54.0 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.52 1.138 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 83.1 p -87.93 168.07 13.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 109.99 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.419 ' NE2' ' NH1' ' A' ' 65' ' ' ARG . 1.5 tp60 -169.71 124.61 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.322 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.65 -65.98 0.61 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.25 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.0 p -177.21 163.79 2.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.982 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.46 ' O ' ' CB ' ' A' ' 66' ' ' SER . 1.7 mtp180 -146.52 164.59 32.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 65' ' ' ARG . 0.3 OUTLIER 162.98 164.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 110.02 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -155.26 162.46 40.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 37.4 m-20 -132.04 152.38 51.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.157 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.87 170.63 17.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 110.285 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -136.85 172.42 22.59 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -121.84 106.74 11.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 0.786 . . . . 0.0 110.303 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 21.1 mm -118.38 150.45 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.335 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -98.23 114.11 64.79 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.348 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 160.25 40.25 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.48 1.779 . . . . 0.0 111.009 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -75.17 117.58 17.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.3 p -68.07 171.02 7.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.986 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -152.66 173.25 15.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.3 p -113.37 171.42 7.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.999 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -89.11 177.85 6.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.272 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.58 92.53 4.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -168.82 150.44 4.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 110.332 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 9.0 mt -88.52 -42.65 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.63 ' O ' HG22 ' A' ' 86' ' ' ILE . 46.8 mm -53.74 -56.95 6.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.542 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 58.1 m80 -54.16 -36.5 63.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.576 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -55.56 -45.92 77.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.63 HG22 ' O ' ' A' ' 83' ' ' ILE . 1.8 tp -62.55 -35.4 69.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.012 ' HA ' HD23 ' A' ' 20' ' ' LEU . . . -54.8 -47.53 73.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.513 ' HG2' ' OG ' ' A' ' 27' ' ' SER . 2.0 ttm-85 -65.02 -51.99 58.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.118 . . . . 0.0 110.312 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -59.35 -14.3 11.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.607 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 1.028 HD22 ' CD2' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -63.35 -68.07 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 1.178 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -52.42 -52.54 53.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -49.57 -32.1 11.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 110.315 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.483 ' O ' ' HB2' ' A' ' 97' ' ' MET . 0.3 OUTLIER -69.03 -35.74 70.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -60.57 -51.65 57.41 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.452 1.095 . . . . 0.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.416 ' HA ' ' HE2' ' A' ' 157' ' ' LYS . 22.0 t70 -56.81 -51.79 67.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 0.768 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 99' ' ' HIS . 2.4 mm-40 -63.45 -38.48 91.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.621 ' CE ' HD11 ' A' ' 150' ' ' ILE . 0.0 OUTLIER -50.63 -38.4 45.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.471 ' HB2' ' CE ' ' A' ' 157' ' ' LYS . 28.6 t70 -47.47 -50.73 22.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.429 ' HB2' ' O ' ' A' ' 96' ' ' GLU . 0.8 OUTLIER -43.25 -37.94 2.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.576 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 97' ' ' MET . 0.4 OUTLIER -146.88 87.14 1.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.893 HD12 ' HB2' ' A' ' 107' ' ' ARG . 0.1 OUTLIER -132.92 97.73 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.155 . . . . 0.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.951 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 6.4 mt-30 158.94 47.48 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.951 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.2 Cg_endo -74.99 71.21 5.08 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.5 1.79 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.657 ' CB ' ' O ' ' A' ' 103' ' ' PRO . 3.5 m 93.93 5.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.44 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.651 ' CB ' ' O ' ' A' ' 104' ' ' THR . 0.3 OUTLIER 101.14 28.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 1.305 HG22 ' CD2' ' A' ' 138' ' ' PHE . 0.9 OUTLIER -62.33 -70.56 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.893 ' HB2' HD12 ' A' ' 101' ' ' ILE . 0.0 OUTLIER -50.8 -40.6 55.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.499 ' HB3' ' CD2' ' A' ' 105' ' ' LEU . 2.8 tp60 -62.4 -26.07 68.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.823 ' C ' HD13 ' A' ' 109' ' ' LEU . 0.9 OUTLIER -64.13 -73.46 0.12 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 1.07 ' O ' ' CD2' ' A' ' 113' ' ' PHE . . . -50.31 -34.15 22.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.06 -26.03 65.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 109' ' ' LEU . 0.5 OUTLIER -53.13 -60.11 3.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.281 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 1.194 ' CD2' ' HB2' ' A' ' 130' ' ' ALA . 4.3 p90 -57.36 -42.7 82.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 111.052 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.893 ' CG ' HD23 ' A' ' 155' ' ' LEU . 0.0 OUTLIER -52.14 85.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.577 1.173 . . . . 0.0 111.022 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 113' ' ' PHE . 11.4 m-20 -141.76 -69.59 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -93.53 173.59 34.08 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.639 ' O ' ' HB2' ' A' ' 118' ' ' LEU . 0.4 OUTLIER -84.49 -91.47 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 0.77 . . . . 0.0 109.958 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.743 HD12 ' O ' ' A' ' 122' ' ' ASP . 3.1 tm? 170.23 -72.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.556 ' O ' ' N ' ' A' ' 121' ' ' GLU . 27.0 t -142.34 178.67 7.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 110.035 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.473 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 2.7 mm-40 -45.19 -13.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.433 1.083 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.556 ' N ' ' O ' ' A' ' 119' ' ' SER . 0.1 OUTLIER 162.47 74.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.288 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.743 ' O ' HD12 ' A' ' 118' ' ' LEU . 18.9 t70 -161.11 60.17 0.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.422 ' O ' ' CB ' ' A' ' 124' ' ' ARG . 0.1 OUTLIER -92.15 140.64 29.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.802 ' HA ' HD11 ' A' ' 127' ' ' LEU . 9.3 ttt-85 163.12 -30.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.324 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.542 ' O ' ' CB ' ' A' ' 129' ' ' LYS . 15.2 m120 -69.96 -44.93 68.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.349 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.615 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 0.5 OUTLIER -52.83 -56.76 13.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 108.314 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.872 HD12 ' HB3' ' A' ' 176' ' ' ASN . 0.0 OUTLIER -54.9 -70.11 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -47.4 -30.67 3.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.615 ' HB2' ' O ' ' A' ' 126' ' ' CYS . 38.7 mttt -58.81 -31.61 68.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 1.194 ' HB2' ' CD2' ' A' ' 113' ' ' PHE . . . -73.44 -45.26 55.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.708 ' N ' ' CZ ' ' A' ' 177' ' ' PHE . 0.3 OUTLIER -42.19 -44.85 3.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.974 ' O ' ' HB ' ' A' ' 136' ' ' THR . 1.2 m-20 -68.08 -50.53 54.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.806 ' HB3' HD21 ' A' ' 109' ' ' LEU . 0.3 OUTLIER -54.81 -61.18 2.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 1.121 HG23 ' CE2' ' A' ' 138' ' ' PHE . 0.2 OUTLIER -52.92 -40.43 36.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.526 ' HG2' ' O ' ' A' ' 135' ' ' LYS . 0.1 OUTLIER -85.06 11.06 10.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.974 ' HB ' ' O ' ' A' ' 132' ' ' ASP . 0.6 OUTLIER -126.14 -16.91 5.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.392 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.601 ' HB3' ' CD1' ' A' ' 138' ' ' PHE . . . -101.57 -51.68 3.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 1.305 ' CD2' HG22 ' A' ' 106' ' ' VAL . 0.1 OUTLIER -125.39 59.8 27.1 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 111.038 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.565 ' HA ' ' HB2' ' A' ' 144' ' ' ASN . 18.4 Cg_endo -74.92 159.9 41.04 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.485 1.782 . . . . 0.0 111.019 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.699 ' C ' ' OD1' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 172.48 -142.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 110.275 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ASP . . . . . 0.643 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 81.9 m-20 -108.72 -103.89 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' MET . . . . . 0.494 ' CB ' ' OH ' ' A' ' 185' ' ' TYR . 6.6 ttm -70.17 -31.9 69.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' A' ' 146' ' ' LYS . 5.9 tt0 -66.76 -60.59 2.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' ASN . . . . . 0.699 ' OD1' ' C ' ' A' ' 140' ' ' ARG . 1.2 p-10 -65.81 -53.6 37.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.659 ' N ' ' CG ' ' A' ' 144' ' ' ASN . 36.0 m-20 -40.83 -55.76 2.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.435 ' HG3' ' N ' ' A' ' 147' ' ' ALA . 5.6 ptpt -62.68 -31.81 72.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.597 ' HB3' ' O ' ' A' ' 144' ' ' ASN . . . -61.14 -55.04 36.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 148' ' ' MET . . . . . 0.705 ' HA ' ' HG2' ' A' ' 151' ' ' MET . 1.2 mtp -49.43 -55.37 13.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.743 HD11 HD11 ' A' ' 90' ' ' LEU . 7.2 tt -53.95 -44.04 70.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.575 1.172 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.788 HG21 HD11 ' A' ' 101' ' ' ILE . 50.8 mt -53.72 -31.95 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 151' ' ' MET . . . . . 0.801 ' HB2' ' CE2' ' A' ' 177' ' ' PHE . 0.1 OUTLIER -56.05 -56.0 26.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 152' ' ' THR . . . . . 0.868 ' HB ' ' HA ' ' A' ' 174' ' ' THR . 27.7 p -56.21 -52.07 65.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 110.396 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 153' ' ' MET . . . . . 0.866 ' HE1' HD11 ' A' ' 20' ' ' LEU . 10.4 mmt -65.98 -21.39 66.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 1.08 ' C ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -60.79 -60.44 3.79 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 1.055 HD21 ' CZ ' ' A' ' 113' ' ' PHE . 4.9 mp -50.35 -46.22 55.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 1.143 ' O ' ' O ' ' A' ' 159' ' ' VAL . . . -62.55 -54.09 45.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.477 ' CD ' ' C ' ' A' ' 157' ' ' LYS . 0.1 OUTLIER -46.32 -50.85 15.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 158' ' ' LYS . . . . . 0.801 ' HG3' HG23 ' A' ' 159' ' ' VAL . 18.5 ptmt -74.62 -52.74 10.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 159' ' ' VAL . . . . . 1.143 ' O ' ' O ' ' A' ' 156' ' ' ALA . 87.7 t -92.97 159.47 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.988 ' HB3' HG11 ' A' ' 170' ' ' VAL . . . 64.62 -53.75 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 161' ' ' SER . . . . . 0.591 ' N ' ' O ' ' A' ' 159' ' ' VAL . 0.1 OUTLIER -86.18 -11.08 53.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.021 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 162' ' ' HIS . . . . . 0.622 ' CB ' ' O ' ' A' ' 158' ' ' LYS . 0.0 OUTLIER -148.55 -36.06 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.597 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 1.017 ' HB3' ' HA ' ' A' ' 159' ' ' VAL . . . -113.67 94.65 33.66 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 58.77 4.98 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.529 1.805 . . . . 0.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 165' ' ' SER . . . . . 0.566 ' O ' HD22 ' A' ' 166' ' ' LEU . 75.6 p -102.88 -69.25 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.003 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.566 HD22 ' O ' ' A' ' 165' ' ' SER . 3.7 mm? -124.05 63.87 1.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 167' ' ' LEU . . . . . 0.996 ' HB2' HD21 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -50.64 -28.85 9.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 168' ' ' ARG . . . . . 0.687 ' H ' HD12 ' A' ' 167' ' ' LEU . 0.1 OUTLIER -62.64 -50.6 70.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 169' ' ' ASP . . . . . 0.641 ' N ' ' HG3' ' A' ' 168' ' ' ARG . 6.8 t70 -65.98 -33.41 75.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 170' ' ' VAL . . . . . 0.988 HG11 ' HB3' ' A' ' 160' ' ' ALA . 1.0 OUTLIER -56.79 -65.36 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 171' ' ' PHE . . . . . 1.159 ' CE1' HD22 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -48.51 -52.38 22.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 172' ' ' HIS . . . . . 0.651 ' O ' ' OD1' ' A' ' 176' ' ' ASN . 1.9 t60 -65.15 -24.49 67.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 109.587 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 173' ' ' THR . . . . . 1.255 ' C ' ' OD1' ' A' ' 176' ' ' ASN . 1.4 m -76.32 -7.32 54.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.398 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 174' ' ' THR . . . . . 0.999 ' OG1' ' O ' ' A' ' 171' ' ' PHE . 0.6 OUTLIER -94.58 -58.42 2.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 110.417 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 175' ' ' VAL . . . . . 0.949 HG21 ' HB ' ' A' ' 21' ' ' VAL . 5.0 t -75.18 26.03 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.339 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 176' ' ' ASN . . . . . 1.255 ' OD1' ' C ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -85.96 -65.64 0.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.295 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 177' ' ' PHE . . . . . 0.839 ' HZ ' ' HB3' ' A' ' 130' ' ' ALA . 2.3 m-30 -61.27 -53.82 51.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.542 1.151 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 178' ' ' ILE . . . . . 0.768 HD12 ' O ' ' A' ' 174' ' ' THR . 1.5 mt -52.28 -43.39 39.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 179' ' ' ASN . . . . . 1.06 ' N ' HG21 ' A' ' 17' ' ' THR . 6.7 t-20 -66.28 -38.55 88.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 180' ' ' GLN . . . . . 0.578 ' O ' ' O ' ' A' ' 179' ' ' ASN . 1.5 tt0 -41.37 -104.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.27 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.447 ' CB ' ' NE2' ' A' ' 180' ' ' GLN . 58.9 t30 -129.81 3.44 4.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 182' ' ' LEU . . . . . 0.605 ' CD2' ' CE ' ' A' ' 148' ' ' MET . 0.8 OUTLIER -93.49 16.36 13.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.342 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 183' ' ' PHE . . . . . 0.591 ' CZ ' HG21 ' A' ' 16' ' ' ILE . 49.2 t80 -29.0 95.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 110.997 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 184' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 187' ' ' ARG . 3.9 t 58.14 88.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.994 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 185' ' ' TYR . . . . . 0.497 ' C ' ' CD1' ' A' ' 185' ' ' TYR . 0.3 OUTLIER -35.56 -44.03 0.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 186' ' ' VAL . . . . . . . . . . . . . 43.9 t -56.46 -52.42 52.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.482 ' N ' ' O ' ' A' ' 184' ' ' SER . 8.3 tpt180 -54.77 -44.11 73.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 188' ' ' ASN . . . . . 0.502 ' O ' ' HG3' ' A' ' 191' ' ' ARG . 0.1 OUTLIER -53.43 -40.04 64.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 9.8 tp -65.69 -43.97 87.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.25 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 73.5 t -60.35 -57.09 13.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 109.299 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 191' ' ' ARG . . . . . 0.502 ' HG3' ' O ' ' A' ' 188' ' ' ASN . 0.0 OUTLIER -60.72 -43.71 97.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 192' ' ' ASN . . . . . 0.488 ' N ' ' CD ' ' A' ' 191' ' ' ARG . 35.2 t-20 -54.62 -44.36 73.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -62.21 149.18 42.43 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 110.298 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 194' ' ' MET . . . . . 0.416 ' SD ' ' N ' ' A' ' 195' ' ' ASP . 0.0 OUTLIER -39.7 124.03 1.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.99 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 195' ' ' ASP . . . . . 0.416 ' N ' ' SD ' ' A' ' 194' ' ' MET . 1.5 p30 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.486 0.184 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -179.14 155.57 0.73 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.92 162.26 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.003 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -178.77 154.64 0.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.2 p -171.83 150.7 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.56 157.33 0.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.002 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 176.98 162.69 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 159.33 136.78 2.1 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.531 1.144 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.5 p -150.56 158.54 44.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 110.021 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.75 125.09 0.74 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.509 1.13 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -174.99 154.48 1.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 0.789 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.42 150.22 5.24 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.5 1.125 . . . . 0.0 111.041 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -92.57 -47.67 7.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 0.771 . . . . 0.0 109.351 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.471 ' O ' ' HB ' ' A' ' 17' ' ' THR . 1.0 OUTLIER -71.67 68.92 0.62 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.547 1.154 . . . . 0.0 109.273 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -62.89 -43.99 97.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.61 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.573 HD12 HG12 ' A' ' 83' ' ' ILE . 15.3 mm -55.1 -40.52 55.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.802 HG23 HG13 ' A' ' 175' ' ' VAL . 1.1 m -55.48 -75.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.356 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.463 ' N ' HG22 ' A' ' 17' ' ' THR . 1.0 OUTLIER -49.78 -34.69 20.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.677 HD21 ' HA ' ' A' ' 84' ' ' HIS . 1.2 tp -58.02 -33.58 69.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.114 ' CD2' HD22 ' A' ' 90' ' ' LEU . 1.0 OUTLIER -65.55 -43.39 90.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.906 ' HB ' HG21 ' A' ' 175' ' ' VAL . 0.5 OUTLIER -62.99 -62.96 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.727 ' CE1' ' HB3' ' A' ' 35' ' ' LEU . 3.6 t80 -64.65 -30.89 71.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 111.023 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.557 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -72.24 -41.88 51.87 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 1.226 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 0.3 OUTLIER -53.89 -52.46 60.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 0.724 . . . . 0.0 111.014 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 1.035 HD22 ' CE1' ' A' ' 171' ' ' PHE . 3.0 tp -56.24 -43.21 78.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.577 ' CA ' HD21 ' A' ' 35' ' ' LEU . 0.4 OUTLIER -55.51 -36.62 66.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.269 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.546 ' OG ' ' O ' ' A' ' 88' ' ' ARG . 0.2 OUTLIER -60.38 -62.3 1.96 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.579 ' O ' ' C ' ' A' ' 29' ' ' GLY . 0.5 OUTLIER -142.5 -71.58 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.967 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.769 ' HA3' HD12 ' A' ' 25' ' ' LEU . . . 21.35 -120.47 0.01 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.536 1.148 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.685 ' HB3' ' CB ' ' A' ' 34' ' ' GLU . 44.7 t -99.28 -110.37 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.515 ' H ' ' HB2' ' A' ' 34' ' ' GLU . 15.3 t -141.85 175.98 9.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.416 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.532 ' HA ' HD13 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -47.18 -52.95 14.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 110.277 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.723 ' O ' HG23 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -50.16 -32.05 15.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.265 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.685 ' CB ' ' HB3' ' A' ' 30' ' ' CYS . 0.7 OUTLIER -67.75 -53.3 28.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.789 ' HG ' ' HB3' ' A' ' 25' ' ' LEU . 6.4 mp -44.94 -37.25 3.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -65.76 -49.43 68.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 33' ' ' GLN . 2.0 t -63.85 -60.52 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.98 HD21 ' HG ' ' A' ' 167' ' ' LEU . 9.0 mt -64.98 -45.71 84.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.664 ' HA3' ' O ' ' A' ' 35' ' ' LEU . . . -49.73 -45.19 39.39 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.526 1.141 . . . . 0.0 110.979 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -52.69 99.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 0.771 . . . . 0.0 110.277 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -138.34 141.9 39.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.336 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.426 ' CD1' ' HD2' ' A' ' 43' ' ' PRO . 3.3 mm? -99.1 141.51 22.99 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.426 ' HD2' ' CD1' ' A' ' 42' ' ' LEU . 18.5 Cg_endo -74.95 59.64 5.2 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.461 1.769 . . . . 0.0 111.068 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.664 HG22 ' H ' ' A' ' 45' ' ' GLN . 1.3 p -57.45 -163.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.664 ' H ' HG22 ' A' ' 44' ' ' VAL . 5.6 mt-30 160.45 127.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.27 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.468 ' O ' ' C ' ' A' ' 47' ' ' TYR . . . -128.14 160.84 30.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.627 ' O ' ' CG ' ' A' ' 48' ' ' TRP . 19.6 t80 -32.33 -66.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 111.017 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.627 ' CG ' ' O ' ' A' ' 47' ' ' TYR . 3.9 m0 151.94 -176.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 108.015 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.651 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 2.7 mm-40 -152.38 -172.98 4.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.242 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.651 ' HB2' ' O ' ' A' ' 49' ' ' GLU . . . 165.91 166.76 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 2.8 p-10 -178.25 169.17 1.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 51' ' ' ASP . 1.3 tp 178.48 147.13 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -147.19 -54.88 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 110.315 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 68.78 161.96 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 175.85 157.67 0.23 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.341 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -145.08 165.62 27.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.9 119.54 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.3 p -87.47 -170.87 3.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 110.404 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 167.03 156.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 171.02 168.79 33.23 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 110.969 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.42 -72.39 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 110.036 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -173.98 119.4 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.332 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -168.0 -71.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 92.0 p 53.6 40.23 31.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.013 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.564 ' O ' ' CB ' ' A' ' 66' ' ' SER . 6.3 mtt85 -138.48 92.9 2.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 110.281 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.564 ' CB ' ' O ' ' A' ' 65' ' ' ARG . 0.6 OUTLIER 154.92 143.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.004 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -128.26 -177.08 4.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.429 ' O ' ' CB ' ' A' ' 69' ' ' GLN . 6.3 p30 -157.15 170.28 22.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.429 ' CB ' ' O ' ' A' ' 68' ' ' ASN . 1.5 mm-40 165.92 162.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 153.27 104.31 0.25 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.521 1.138 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 -121.38 95.29 4.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 0.787 . . . . 0.0 110.279 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 7.5 pt -113.15 148.62 15.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -146.81 87.58 6.26 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.282 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 170.96 19.28 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.482 1.78 . . . . 0.0 111.013 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -179.58 133.49 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.142 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.4 p 173.22 -175.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.0 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -176.49 156.48 1.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 110.287 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.68 152.37 0.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.99 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.405 ' O ' ' CB ' ' A' ' 80' ' ' GLU . 13.9 mt-30 -155.24 167.96 28.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.312 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.683 ' O ' HG22 ' A' ' 83' ' ' ILE . 0.2 OUTLIER 166.95 -171.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 110.254 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.0 -16.91 64.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 110.331 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 7.9 pt -67.8 -9.13 10.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.683 HG22 ' O ' ' A' ' 80' ' ' GLU . 2.4 tt -50.86 -48.5 28.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.677 ' HA ' HD21 ' A' ' 19' ' ' LEU . 13.5 m-70 -62.47 -47.25 84.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.613 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -51.67 -42.35 62.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.499 ' CG1' ' HB3' ' A' ' 189' ' ' LEU . 0.8 OUTLIER -61.51 -39.8 84.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.766 ' HB1' ' HA ' ' A' ' 20' ' ' LEU . . . -50.32 -47.65 55.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.568 HH21 ' HB3' ' A' ' 84' ' ' HIS . 1.0 OUTLIER -66.0 -37.07 84.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.519 ' CD2' HG12 ' A' ' 93' ' ' ILE . 13.0 t-80 -54.18 -25.24 21.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.621 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 1.114 HD22 ' CD2' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -55.54 -63.52 1.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 1.226 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -55.76 -56.19 23.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.93 -31.81 7.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.519 HG12 ' CD2' ' A' ' 89' ' ' HIS . 1.0 OUTLIER -70.53 -31.41 46.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.609 ' HA2' ' CE ' ' A' ' 153' ' ' MET . . . -61.73 -52.59 49.71 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.124 . . . . 0.0 110.965 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -58.97 -52.58 65.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 0.751 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.43 -38.74 90.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.97 ' HB3' HD12 ' A' ' 101' ' ' ILE . 2.8 mmt -50.54 -41.64 54.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 97' ' ' MET . 39.0 t0 -38.92 -29.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.478 ' N ' ' C ' ' A' ' 97' ' ' MET . 62.7 t60 -39.14 -64.1 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.597 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -144.21 89.66 2.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 1.164 HD11 ' CG2' ' A' ' 150' ' ' ILE . 1.5 tt -128.44 84.7 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.851 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 0.8 OUTLIER 151.72 54.12 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.851 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.3 Cg_endo -74.98 10.07 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.508 1.794 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.719 ' O ' ' CB ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER 165.96 4.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.349 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.719 ' CB ' ' O ' ' A' ' 104' ' ' THR . 0.8 OUTLIER 108.77 39.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 1.07 HG22 ' CD1' ' A' ' 138' ' ' PHE . 1.8 t -69.4 -83.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.855 ' N ' HG12 ' A' ' 106' ' ' VAL . 0.8 OUTLIER -52.95 -29.95 31.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.299 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.534 ' HB3' ' HG ' ' A' ' 105' ' ' LEU . 1.9 tt0 -65.55 -32.12 73.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.274 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 1.368 HD12 ' N ' ' A' ' 110' ' ' ALA . 0.0 OUTLIER -64.17 -58.89 5.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 1.368 ' N ' HD12 ' A' ' 109' ' ' LEU . . . -47.83 -49.2 29.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.512 ' HB2' HD11 ' A' ' 154' ' ' LEU . . . -62.6 -19.79 64.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.788 ' CG ' ' O ' ' A' ' 109' ' ' LEU . 1.1 pt20 -57.76 -48.0 80.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.27 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 1.17 ' CD2' ' O ' ' A' ' 110' ' ' ALA . 3.8 p90 -64.93 -38.61 91.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.822 ' HG3' HD23 ' A' ' 155' ' ' LEU . 8.4 ttp -48.35 118.23 2.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -110.48 -152.49 0.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.36 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -114.1 -40.09 1.0 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 118' ' ' LEU . 0.3 OUTLIER -156.91 70.18 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 0.765 . . . . 0.0 110.0 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.676 HD13 ' HB2' ' A' ' 119' ' ' SER . 0.2 OUTLIER -37.62 -63.23 0.47 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.676 ' HB2' HD13 ' A' ' 118' ' ' LEU . 0.6 OUTLIER -142.08 72.04 1.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.007 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.554 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 31.9 mt-10 68.59 -24.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.285 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.627 ' H ' ' C ' ' A' ' 119' ' ' SER . 0.6 OUTLIER 155.63 64.06 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 0.0 110.307 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.597 ' O ' HD12 ' A' ' 118' ' ' LEU . 3.1 m-20 -129.57 51.58 2.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.506 ' CB ' ' OD1' ' A' ' 169' ' ' ASP . 0.0 OUTLIER -87.6 83.87 7.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.637 ' HA ' HD11 ' A' ' 127' ' ' LEU . 54.1 mtt-85 -143.3 -49.97 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.34 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.473 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 60.8 t30 -70.53 -39.71 73.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 17.6 m -50.62 -56.52 11.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 108.316 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.87 ' HA ' ' CZ ' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -50.58 -67.37 0.26 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.128 . . . . 0.0 109.285 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -45.77 -30.65 1.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' A' ' 125' ' ' ASN . 0.5 OUTLIER -63.51 -26.31 68.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 1.113 ' HB2' ' CD2' ' A' ' 113' ' ' PHE . . . -72.02 -48.68 42.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.694 ' N ' ' CZ ' ' A' ' 177' ' ' PHE . 0.2 OUTLIER -42.53 -44.96 4.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 1.033 ' O ' HG23 ' A' ' 136' ' ' THR . 0.2 OUTLIER -67.39 -40.65 85.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.888 ' O ' ' OG1' ' A' ' 136' ' ' THR . 56.8 mt-10 -68.91 -62.87 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 110.335 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 1.142 HG23 ' CD2' ' A' ' 138' ' ' PHE . 0.1 OUTLIER -42.45 -33.53 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.573 ' O ' ' CD ' ' A' ' 139' ' ' PRO . 0.0 OUTLIER -75.39 -42.76 53.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 136' ' ' THR . . . . . 1.033 HG23 ' O ' ' A' ' 132' ' ' ASP . 22.8 p -52.18 -28.13 17.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.437 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.864 ' HB3' ' CE1' ' A' ' 138' ' ' PHE . . . -102.42 -52.73 3.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 1.142 ' CD2' HG23 ' A' ' 134' ' ' VAL . 0.0 OUTLIER -120.58 69.29 16.01 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.758 ' CA ' ' HB2' ' A' ' 144' ' ' ASN . 18.3 Cg_endo -75.01 -172.89 1.38 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.467 1.772 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.729 ' CB ' ' O ' ' A' ' 139' ' ' PRO . 1.3 mtm-85 107.1 -174.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ASP . . . . . 0.728 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 0.1 OUTLIER -91.17 -98.77 0.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 142' ' ' MET . . . . . 0.479 ' HA ' ' CE2' ' A' ' 185' ' ' TYR . 0.0 OUTLIER -48.15 -33.94 9.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 111.001 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 143' ' ' GLU . . . . . 0.469 ' CB ' ' HD2' ' A' ' 140' ' ' ARG . 0.5 OUTLIER -71.92 -66.72 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.261 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 144' ' ' ASN . . . . . 0.788 ' HB2' ' O ' ' A' ' 138' ' ' PHE . 0.7 OUTLIER -73.26 -58.55 3.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.728 ' CB ' ' O ' ' A' ' 141' ' ' ASP . 10.4 t0 -34.84 -52.46 0.54 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.563 ' NZ ' HD21 ' A' ' 189' ' ' LEU . 0.0 OUTLIER -71.64 -36.8 70.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.72 ' HA ' HD12 ' A' ' 150' ' ' ILE . . . -63.06 -57.29 11.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 148' ' ' MET . . . . . 0.859 ' HG3' ' N ' ' A' ' 149' ' ' LEU . 0.1 OUTLIER -50.75 -47.08 59.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.859 ' N ' ' HG3' ' A' ' 148' ' ' MET . 1.0 OUTLIER -54.26 -39.19 66.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 1.164 ' CG2' HD11 ' A' ' 101' ' ' ILE . 42.1 mt -59.56 -33.56 52.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.336 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 151' ' ' MET . . . . . 0.839 ' O ' HD12 ' A' ' 155' ' ' LEU . 2.3 mmm -55.84 -54.15 48.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 152' ' ' THR . . . . . 0.967 HG21 ' HB2' ' A' ' 177' ' ' PHE . 30.9 p -54.13 -52.45 61.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.413 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 153' ' ' MET . . . . . 0.741 ' CE ' HG23 ' A' ' 150' ' ' ILE . 6.5 tmm? -60.68 -29.65 69.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 0.0 111.038 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 1.105 ' C ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -55.12 -55.7 28.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.348 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 1.074 HD21 ' CZ ' ' A' ' 113' ' ' PHE . 4.8 mp -51.07 -47.03 61.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 1.1 ' O ' ' O ' ' A' ' 159' ' ' VAL . . . -65.14 -53.73 40.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.66 -51.95 11.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 158' ' ' LYS . . . . . 0.863 ' O ' ' N ' ' A' ' 163' ' ' ALA . 28.8 mmmt -76.01 -51.31 12.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 159' ' ' VAL . . . . . 1.1 ' O ' ' O ' ' A' ' 156' ' ' ALA . 48.0 t -92.59 154.38 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.809 ' CB ' HG11 ' A' ' 170' ' ' VAL . . . 69.77 -48.91 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 161' ' ' SER . . . . . 0.474 ' H ' ' C ' ' A' ' 159' ' ' VAL . 0.3 OUTLIER -93.85 -8.44 40.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.994 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 162' ' ' HIS . . . . . 0.57 ' CB ' ' O ' ' A' ' 158' ' ' LYS . 0.2 OUTLIER -153.88 -36.27 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.596 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 0.968 ' HB3' ' HA ' ' A' ' 159' ' ' VAL . . . -112.6 97.34 40.32 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 45.58 1.37 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.46 1.769 . . . . 0.0 110.982 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 1.2 m -103.8 -34.05 8.69 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.96 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 1.026 HD12 HG11 ' A' ' 159' ' ' VAL . 0.1 OUTLIER -133.87 92.42 2.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 167' ' ' LEU . . . . . 0.98 ' HG ' HD21 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -75.68 -80.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.319 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 168' ' ' ARG . . . . . 0.626 ' HA ' ' HA ' ' A' ' 38' ' ' LEU . 2.8 ptt180 -53.85 -38.76 65.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 0.0 110.329 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 169' ' ' ASP . . . . . 0.506 ' OD1' ' CB ' ' A' ' 123' ' ' LYS . 0.3 OUTLIER -60.16 -42.02 94.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 170' ' ' VAL . . . . . 0.809 HG11 ' CB ' ' A' ' 160' ' ' ALA . 1.1 t -53.32 -56.33 8.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 171' ' ' PHE . . . . . 1.035 ' CE1' HD22 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -51.22 -53.85 31.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 172' ' ' HIS . . . . . 0.55 ' O ' ' CB ' ' A' ' 176' ' ' ASN . 37.0 t-80 -51.42 -26.43 7.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.625 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 173' ' ' THR . . . . . 0.929 HG21 ' HB2' ' A' ' 155' ' ' LEU . 1.0 OUTLIER -61.25 -59.08 5.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.414 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 174' ' ' THR . . . . . 0.549 ' HA ' ' CB ' ' A' ' 152' ' ' THR . 31.0 p -54.65 -57.79 10.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.388 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 175' ' ' VAL . . . . . 0.906 HG21 ' HB ' ' A' ' 21' ' ' VAL . 2.9 t -75.58 9.7 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 176' ' ' ASN . . . . . 0.865 ' HB2' HD12 ' A' ' 127' ' ' LEU . 0.0 OUTLIER -79.64 -55.64 4.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 177' ' ' PHE . . . . . 0.967 ' HB2' HG21 ' A' ' 152' ' ' THR . 4.1 m-30 -64.62 -53.85 41.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 178' ' ' ILE . . . . . 0.752 HD11 HG23 ' A' ' 17' ' ' THR . 0.0 OUTLIER -54.22 -47.07 68.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 179' ' ' ASN . . . . . 0.556 ' CB ' ' O ' ' A' ' 175' ' ' VAL . 9.8 t-20 -65.35 -39.75 92.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 38.1 mm-40 -78.61 -6.91 56.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.085 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 177' ' ' PHE . 5.0 t-20 -94.72 -140.08 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 182' ' ' LEU . . . . . 0.474 ' HG ' ' OD1' ' A' ' 181' ' ' ASN . 0.0 OUTLIER -89.59 -39.16 13.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 183' ' ' PHE . . . . . 0.552 ' CZ ' ' HB ' ' A' ' 16' ' ' ILE . 12.5 t80 -178.21 -54.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 184' ' ' SER . . . . . 0.619 ' O ' HG12 ' A' ' 186' ' ' VAL . 2.2 t 167.8 129.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.997 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 185' ' ' TYR . . . . . 0.852 ' O ' HD12 ' A' ' 189' ' ' LEU . 2.1 t80 -68.69 56.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 186' ' ' VAL . . . . . 0.619 HG12 ' O ' ' A' ' 184' ' ' SER . 1.1 p -81.63 -39.71 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.248 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 187' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.75 -53.08 59.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 188' ' ' ASN . . . . . 0.69 ' CB ' ' CZ ' ' A' ' 185' ' ' TYR . 3.1 t30 -64.27 -49.31 72.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.852 HD12 ' O ' ' A' ' 185' ' ' TYR . 13.6 mt -52.02 -44.51 64.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 190' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 186' ' ' VAL . 14.4 t -58.17 -45.07 88.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -61.7 -44.48 96.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -57.34 -51.31 69.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 193' ' ' GLU . . . . . 0.476 ' O ' ' CB ' ' A' ' 194' ' ' MET . 0.2 OUTLIER -67.13 97.55 0.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 194' ' ' MET . . . . . 0.476 ' CB ' ' O ' ' A' ' 193' ' ' GLU . 2.3 ttt 79.2 175.57 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 -179.957 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.249 0 CA-C-O 120.51 0.195 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -113.69 171.85 7.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 p -143.71 -178.23 5.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.023 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -128.21 172.28 11.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.636 HG22 ' H ' ' A' ' 6' ' ' SER . 1.1 p -97.21 -171.36 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.636 ' H ' HG22 ' A' ' 5' ' ' VAL . 10.7 t -89.48 -72.34 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.03 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 24.6 t30 -173.12 -177.61 1.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 166.27 125.71 0.79 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.467 1.104 . . . . 0.0 111.027 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.7 p -136.88 171.4 14.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 0.77 . . . . 0.0 109.979 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 120.89 127.58 3.46 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.465 HD21 ' OD2' ' A' ' 18' ' ' ASP . 0.4 OUTLIER -172.16 179.25 2.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 0.77 . . . . 0.0 109.306 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -150.13 166.46 29.98 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.449 1.093 . . . . 0.0 111.054 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 60.58 157.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 0.769 . . . . 0.0 109.326 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.8 mptt 43.32 46.28 5.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 23.1 t-80 -60.1 -52.31 65.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 109.563 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.481 HD13 ' HA ' ' A' ' 16' ' ' ILE . 0.2 OUTLIER -55.77 -51.39 60.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.882 HG22 HG13 ' A' ' 175' ' ' VAL . 1.7 m -52.72 -45.54 67.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 110.398 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.465 ' OD2' HD21 ' A' ' 11' ' ' LEU . 27.4 t70 -49.63 -43.04 46.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.528 ' O ' ' N ' ' A' ' 23' ' ' GLY . 1.9 mm? -66.99 -25.36 66.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.14 ' CD1' HD22 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -64.85 -49.23 71.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.97 ' HB ' HG21 ' A' ' 175' ' ' VAL . 0.4 OUTLIER -61.58 -60.16 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.169 . . . . 0.0 109.318 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.762 ' CD2' ' HA3' ' A' ' 39' ' ' GLY . 3.2 t80 -61.83 -32.76 73.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 111.014 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -75.05 -36.86 45.0 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.545 1.153 . . . . 0.0 110.961 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 1.211 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 0.7 OUTLIER -53.41 -57.68 9.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 0.776 . . . . 0.0 111.028 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.988 HD22 ' CE1' ' A' ' 171' ' ' PHE . 1.5 tp -57.41 -44.44 84.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.605 ' HG3' ' N ' ' A' ' 27' ' ' SER . 0.1 OUTLIER -54.76 -31.13 58.22 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.605 ' N ' ' HG3' ' A' ' 26' ' ' GLN . 30.9 t -72.0 -93.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.034 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.07 55.15 1.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.029 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.655 ' HA3' HD12 ' A' ' 25' ' ' LEU . . . -99.82 -87.1 1.93 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 111.053 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.486 ' CB ' ' HG2' ' A' ' 34' ' ' GLU . 32.6 t -115.66 -102.07 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.423 ' N ' ' SG ' ' A' ' 30' ' ' CYS . 19.2 p -141.1 162.6 35.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.428 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.441 ' O ' HD22 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -49.25 -57.23 7.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -54.88 -26.58 36.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.299 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.515 ' C ' HD23 ' A' ' 25' ' ' LEU . 3.9 tp10 -68.45 -55.67 11.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.276 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 1.09 HD23 ' N ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -48.64 -31.07 6.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 1.09 ' N ' HD23 ' A' ' 35' ' ' LEU . 1.4 tt0 -69.38 -48.33 61.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.97 HG13 HD23 ' A' ' 167' ' ' LEU . 0.3 OUTLIER -66.01 -56.67 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 109.323 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.009 HD22 ' O ' ' A' ' 167' ' ' LEU . 18.0 mt -66.16 -42.4 89.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.762 ' HA3' ' CD2' ' A' ' 22' ' ' PHE . . . -48.76 -43.66 29.94 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.77 113.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.75 . . . . 0.0 110.307 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.625 ' OE2' HG23 ' A' ' 37' ' ' VAL . 0.4 OUTLIER -142.17 137.64 30.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.347 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.478 ' O ' HG21 ' A' ' 5' ' ' VAL . 3.2 mm? -101.16 106.95 48.01 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.152 . . . . 0.0 109.269 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.411 ' HD3' ' O ' ' A' ' 41' ' ' GLU . 18.4 Cg_endo -74.97 151.81 40.13 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.465 1.771 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.541 ' O ' ' CB ' ' A' ' 45' ' ' GLN . 69.3 t -45.89 -56.4 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.541 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 2.8 mt-30 156.78 -178.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 110.313 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 47' ' ' TYR . . . -125.47 143.82 50.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.505 ' O ' ' C ' ' A' ' 48' ' ' TRP . 61.7 t80 -33.63 148.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 111.034 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.505 ' C ' ' O ' ' A' ' 47' ' ' TYR . 82.2 m95 -35.0 -84.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.148 . . . . 0.0 107.983 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 170.61 -52.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.333 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.488 ' O ' ' CB ' ' A' ' 51' ' ' ASP . . . 60.85 -90.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.488 ' CB ' ' O ' ' A' ' 50' ' ' ALA . 11.1 t0 81.74 112.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.577 HD23 ' N ' ' A' ' 54' ' ' ASP . 1.5 tt -34.86 145.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -96.19 -33.79 11.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.341 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.577 ' N ' HD23 ' A' ' 52' ' ' LEU . 17.1 t0 54.65 48.7 19.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.353 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 41.88 67.51 0.56 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.274 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -169.51 90.4 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -116.97 55.34 0.83 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -153.4 101.39 2.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.387 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -178.87 -63.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 45.08 84.94 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.21 113.3 4.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 0.78 . . . . 0.0 110.021 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.0 tp60 -176.18 145.1 0.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.279 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -169.29 173.9 6.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -143.77 -175.55 4.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.011 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.27 -66.9 0.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.261 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.1 p 72.18 160.32 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.995 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 178.82 -160.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 111.052 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.7 m120 61.55 152.15 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -163.18 -175.49 4.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -149.39 135.56 5.4 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.462 1.101 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.21 102.56 3.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 0.784 . . . . 0.0 110.326 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.66 ' O ' HD12 ' A' ' 72' ' ' ILE . 2.8 pp -140.31 127.55 23.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.115 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -87.19 123.87 69.31 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.267 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 144.82 30.76 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.519 1.799 . . . . 0.0 111.039 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.82 -65.58 1.0 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 24.8 p -170.03 167.3 8.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.98 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.443 ' O ' ' CB ' ' A' ' 78' ' ' SER . 0.5 OUTLIER -46.53 -61.23 1.91 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.443 ' CB ' ' O ' ' A' ' 77' ' ' GLU . 1.3 m 80.81 -63.94 0.18 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.995 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.402 ' C ' ' N ' ' A' ' 81' ' ' GLU . 0.5 OUTLIER 73.42 -57.53 0.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.329 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -43.13 -28.01 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' ' 79' ' ' GLN . 1.3 mm-40 -39.83 138.75 0.73 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.416 ' O ' HG23 ' A' ' 86' ' ' ILE . 1.5 pp -100.45 -23.11 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.469 ' CD1' HD11 ' A' ' 16' ' ' ILE . 9.8 pt -53.67 -54.79 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.522 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 85.1 m-70 -60.03 -30.87 69.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.618 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -55.6 -46.92 77.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.346 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.799 HD12 ' C ' ' A' ' 86' ' ' ILE . 0.3 OUTLIER -63.18 -37.39 79.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.342 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.883 ' HB1' ' HA ' ' A' ' 20' ' ' LEU . . . -51.98 -48.18 64.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.497 ' CB ' ' HB2' ' A' ' 27' ' ' SER . 0.6 OUTLIER -65.44 -43.08 91.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.788 ' NE2' HD11 ' A' ' 93' ' ' ILE . 85.8 t60 -60.46 -13.42 13.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.618 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 1.14 HD22 ' CD1' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -63.67 -63.91 1.04 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 1.211 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -57.85 -54.29 48.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.503 ' HG3' ' N ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -47.99 -37.05 13.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.269 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.947 HG22 ' SD ' ' A' ' 153' ' ' MET . 4.9 mm -70.77 -31.69 46.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.5 ' N ' ' SD ' ' A' ' 153' ' ' MET . . . -57.82 -53.96 41.13 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.465 1.103 . . . . 0.0 111.032 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -64.63 -45.68 85.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 0.0 109.296 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -58.18 -47.4 83.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.598 ' SD ' HD13 ' A' ' 150' ' ' ILE . 3.1 tpt -57.78 -36.06 71.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.528 ' HA ' HD11 ' A' ' 101' ' ' ILE . 28.1 t0 -38.78 -30.45 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.459 ' N ' ' C ' ' A' ' 97' ' ' MET . 55.2 t-80 -36.84 -69.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.596 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -146.06 87.95 1.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.953 HG22 ' HB2' ' A' ' 107' ' ' ARG . 6.1 mt -98.03 76.49 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.824 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 2.1 mt-30 161.18 52.63 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.312 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.824 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.2 Cg_endo -75.03 -19.79 17.43 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.534 1.807 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.878 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 40.8 p -152.01 8.0 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.404 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.878 ' HB2' ' O ' ' A' ' 104' ' ' THR . 0.3 OUTLIER 104.76 30.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 1.039 ' O ' ' CD1' ' A' ' 109' ' ' LEU . 1.0 OUTLIER -65.87 -56.3 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.319 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.953 ' HB2' HG22 ' A' ' 101' ' ' ILE . 0.1 OUTLIER -69.73 -14.86 63.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.337 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.419 ' O ' ' N ' ' A' ' 112' ' ' GLN . 2.5 tm0? -63.22 -65.48 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.279 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 1.039 ' CD1' ' O ' ' A' ' 106' ' ' VAL . 0.0 OUTLIER -56.04 -58.74 6.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.857 ' O ' ' CD2' ' A' ' 113' ' ' PHE . . . -50.2 -54.2 22.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.791 ' CB ' ' O ' ' A' ' 107' ' ' ARG . . . -63.21 -18.76 63.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.786 ' HG2' ' N ' ' A' ' 113' ' ' PHE . 1.3 pt20 -61.3 -49.27 77.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 110.291 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 1.025 ' CE1' HD12 ' A' ' 127' ' ' LEU . 2.1 p90 -68.43 -36.13 78.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.83 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -48.12 -20.22 0.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 111.039 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.402 ' N ' ' HG3' ' A' ' 114' ' ' MET . 39.2 t30 -132.91 58.0 1.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.426 ' H ' ' NZ ' ' A' ' 123' ' ' LYS . . . -59.6 -107.75 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.473 1.108 . . . . 0.0 111.022 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 28.2 t -151.66 -44.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 0.745 . . . . 0.0 110.005 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.408 HD12 ' O ' ' A' ' 122' ' ' ASP . 0.3 OUTLIER -40.23 -76.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.634 ' O ' ' N ' ' A' ' 121' ' ' GLU . 0.4 OUTLIER -144.83 170.74 15.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.03 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.559 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 20.3 mt-10 -40.61 -16.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.783 ' O ' HD12 ' A' ' 166' ' ' LEU . 0.0 OUTLIER 155.96 62.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.7 ' OD1' HD11 ' A' ' 166' ' ' LEU . 1.0 OUTLIER -120.71 42.05 3.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.426 ' NZ ' ' H ' ' A' ' 116' ' ' GLY . 0.0 OUTLIER -122.99 -30.38 3.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.93 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 1.096 ' O ' HD22 ' A' ' 127' ' ' LEU . 7.0 mmt85 70.35 -54.8 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.626 ' O ' ' N ' ' A' ' 129' ' ' LYS . 4.9 p30 -55.56 -27.43 49.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.459 ' O ' ' CG ' ' A' ' 113' ' ' PHE . 0.8 OUTLIER -46.63 -56.92 5.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 108.324 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 1.096 HD22 ' O ' ' A' ' 124' ' ' ARG . 0.0 OUTLIER -54.73 -57.11 12.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.712 ' HB2' ' OD1' ' A' ' 176' ' ' ASN . . . -57.37 -27.58 62.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.626 ' N ' ' O ' ' A' ' 125' ' ' ASN . 2.9 ttpt -59.0 -33.13 70.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 1.009 ' HB2' ' CD2' ' A' ' 113' ' ' PHE . . . -71.53 -39.09 70.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.364 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.76 ' C ' HD12 ' A' ' 131' ' ' LEU . 0.2 OUTLIER -47.42 -51.55 19.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.629 ' O ' HG23 ' A' ' 136' ' ' THR . 2.4 m-20 -72.24 -51.28 21.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.514 ' O ' ' OG1' ' A' ' 136' ' ' THR . 4.8 mm-40 -70.28 -61.4 1.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 1.14 HG22 ' CZ ' ' A' ' 138' ' ' PHE . 0.3 OUTLIER -49.26 -22.05 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.092 . . . . 0.0 109.276 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.694 ' O ' ' CD ' ' A' ' 139' ' ' PRO . 7.7 ttpt -75.55 -46.95 28.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.629 HG23 ' O ' ' A' ' 132' ' ' ASP . 67.2 p -43.42 -24.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.385 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.881 ' HB3' ' CE1' ' A' ' 138' ' ' PHE . . . -90.13 -48.05 7.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 1.14 ' CZ ' HG22 ' A' ' 134' ' ' VAL . 0.0 OUTLIER -118.12 53.48 1.69 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 111.01 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.739 ' HD3' ' C ' ' A' ' 137' ' ' ALA . 18.4 Cg_endo -75.01 121.0 6.3 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.44 1.758 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.595 ' CB ' ' HB2' ' A' ' 144' ' ' ASN . 2.8 tpt180 175.32 -152.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ASP . . . . . 0.697 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 2.3 m-20 -105.39 -148.24 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' MET . . . . . 0.613 ' HA ' ' CZ ' ' A' ' 185' ' ' TYR . 4.3 ptt? -45.12 -27.11 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.949 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -74.8 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.252 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' ASN . . . . . 0.706 ' O ' ' N ' ' A' ' 147' ' ' ALA . 3.8 m-20 -79.76 -45.06 19.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.697 ' CB ' ' O ' ' A' ' 141' ' ' ASP . 51.0 t0 -36.69 -46.03 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.668 ' CB ' ' OH ' ' A' ' 185' ' ' TYR . 0.6 OUTLIER -50.82 -33.24 22.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.706 ' N ' ' O ' ' A' ' 144' ' ' ASN . . . -57.89 -57.77 11.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 148' ' ' MET . . . . . 0.62 ' HG3' ' N ' ' A' ' 149' ' ' LEU . 0.1 OUTLIER -53.48 -46.66 70.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 111.01 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 1.007 HD11 HD11 ' A' ' 90' ' ' LEU . 8.6 tp -59.8 -42.25 93.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.598 HD13 ' SD ' ' A' ' 97' ' ' MET . 2.0 mt -50.33 -30.68 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 151' ' ' MET . . . . . 1.098 ' HG3' HG21 ' A' ' 134' ' ' VAL . 2.4 mmm -63.85 -48.42 76.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 110.977 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 152' ' ' THR . . . . . 0.834 ' OG1' ' O ' ' A' ' 174' ' ' THR . 0.6 OUTLIER -46.65 -50.44 17.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.446 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 153' ' ' MET . . . . . 0.947 ' SD ' HG22 ' A' ' 93' ' ' ILE . 11.3 ptp -71.53 -20.9 61.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.974 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 1.126 HD13 HD13 ' A' ' 155' ' ' LEU . 0.0 OUTLIER -59.72 -58.31 9.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 1.126 HD13 HD13 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -52.35 -60.64 2.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.987 ' HA ' HG22 ' A' ' 170' ' ' VAL . . . -54.1 -44.61 71.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.485 ' CB ' ' O ' ' A' ' 153' ' ' MET . 19.0 tptt -47.83 -59.11 3.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 158' ' ' LYS . . . . . 0.91 ' O ' ' N ' ' A' ' 162' ' ' HIS . 0.0 OUTLIER -78.63 -56.56 4.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 159' ' ' VAL . . . . . 0.95 ' CG1' ' HB3' ' A' ' 163' ' ' ALA . 59.4 t -42.35 -51.51 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.676 ' HB2' ' O ' ' A' ' 156' ' ' ALA . . . -31.86 -49.59 0.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.15 -10.07 9.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.016 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 162' ' ' HIS . . . . . 0.91 ' N ' ' O ' ' A' ' 158' ' ' LYS . 5.7 t60 -87.45 -44.95 10.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.605 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 0.95 ' HB3' ' CG1' ' A' ' 159' ' ' VAL . . . -119.89 68.19 12.13 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 164' ' ' PRO . . . . . 0.583 ' HD3' ' C ' ' A' ' 162' ' ' HIS . 18.2 Cg_endo -74.98 45.59 1.37 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.54 1.811 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 165' ' ' SER . . . . . 0.604 ' C ' HD23 ' A' ' 166' ' ' LEU . 0.6 OUTLIER -121.27 -46.05 2.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.988 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.783 HD12 ' O ' ' A' ' 121' ' ' GLU . 5.6 mt -105.85 54.23 0.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 167' ' ' LEU . . . . . 1.009 ' O ' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -43.62 -55.51 4.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.092 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 168' ' ' ARG . . . . . 0.946 ' N ' HD22 ' A' ' 167' ' ' LEU . 0.5 OUTLIER -54.57 -41.82 70.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 110.307 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 169' ' ' ASP . . . . . 0.497 ' CB ' ' HB3' ' A' ' 166' ' ' LEU . 7.1 t70 -63.54 -38.46 91.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 170' ' ' VAL . . . . . 0.987 HG22 ' HA ' ' A' ' 156' ' ' ALA . 0.4 OUTLIER -46.84 -53.96 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 171' ' ' PHE . . . . . 0.988 ' CE1' HD22 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -61.76 -42.57 99.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 172' ' ' HIS . . . . . 0.648 ' O ' ' CB ' ' A' ' 176' ' ' ASN . 31.1 t60 -61.04 -31.18 70.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.566 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 173' ' ' THR . . . . . 1.072 HG21 ' HB2' ' A' ' 155' ' ' LEU . 6.7 m -65.01 -49.61 69.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 110.384 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 174' ' ' THR . . . . . 0.9 HG23 ' O ' ' A' ' 171' ' ' PHE . 0.4 OUTLIER -61.35 -62.89 1.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.377 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 175' ' ' VAL . . . . . 0.97 HG21 ' HB ' ' A' ' 21' ' ' VAL . 2.3 t -71.53 5.73 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 176' ' ' ASN . . . . . 0.732 ' HB3' ' O ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -73.85 -56.75 4.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 177' ' ' PHE . . . . . 0.847 ' CZ ' ' HB2' ' A' ' 151' ' ' MET . 13.8 m-85 -51.19 -55.59 17.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 178' ' ' ILE . . . . . 0.569 HD13 ' HG ' ' A' ' 20' ' ' LEU . 0.9 OUTLIER -59.48 -43.42 90.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 179' ' ' ASN . . . . . 0.471 ' OD1' ' C ' ' A' ' 179' ' ' ASN . 5.1 t-20 -59.55 -37.79 79.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 180' ' ' GLN . . . . . 0.441 ' HB3' ' CD2' ' A' ' 131' ' ' LEU . 1.8 mm-40 -94.83 -0.98 53.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.583 ' CG ' ' H ' ' A' ' 182' ' ' LEU . 49.9 t30 -95.0 -145.04 0.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 182' ' ' LEU . . . . . 0.583 ' H ' ' CG ' ' A' ' 181' ' ' ASN . 0.0 OUTLIER -94.79 42.69 1.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 183' ' ' PHE . . . . . 0.618 ' O ' ' CB ' ' A' ' 184' ' ' SER . 1.7 t80 22.5 99.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 111.03 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 184' ' ' SER . . . . . 0.618 ' CB ' ' O ' ' A' ' 183' ' ' PHE . 1.4 m 95.28 90.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 109.983 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 185' ' ' TYR . . . . . 0.668 ' OH ' ' CB ' ' A' ' 146' ' ' LYS . 20.4 t80 -39.04 160.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 186' ' ' VAL . . . . . . . . . . . . . 43.6 t -46.26 -31.26 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.509 ' HB3' HG21 ' A' ' 86' ' ' ILE . 4.9 mmt-85 -53.42 -53.7 47.53 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.127 . . . . 0.0 110.27 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 188' ' ' ASN . . . . . 0.502 ' CB ' ' HB3' ' A' ' 184' ' ' SER . 1.1 t30 -61.57 -43.25 99.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.432 HD13 ' HA ' ' A' ' 189' ' ' LEU . 0.3 OUTLIER -53.98 -46.91 71.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 39.0 t -56.2 -44.93 80.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 109.265 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -61.28 -44.73 96.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -56.94 -51.86 67.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.269 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -129.39 127.38 40.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.324 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 194' ' ' MET . . . . . . . . . . . . . 8.3 mtm -70.17 -64.31 0.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.481 0.181 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 164.03 155.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.7 p 179.73 179.21 0.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.01 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -112.0 179.62 3.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.477 ' O ' ' CB ' ' A' ' 6' ' ' SER . 0.8 OUTLIER -175.06 165.42 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 5' ' ' VAL . 0.7 OUTLIER 83.58 123.49 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.038 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 30.9 t30 177.6 106.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -175.14 -177.68 44.41 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.446 1.091 . . . . 0.0 110.971 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.0 m -147.82 178.1 8.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 0.795 . . . . 0.0 109.972 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.72 -26.21 0.29 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.463 1.102 . . . . 0.0 111.038 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.7 mp 58.56 104.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 0.759 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.694 ' O ' ' HB2' ' A' ' 13' ' ' ALA . . . -152.07 115.05 0.67 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.512 1.132 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.694 ' HB2' ' O ' ' A' ' 12' ' ' GLY . . . 162.17 -101.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 0.758 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.483 ' CB ' ' HB ' ' A' ' 17' ' ' THR . 0.1 OUTLIER -123.89 120.48 32.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.302 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -57.48 -47.53 81.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.611 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.655 HD11 HG13 ' A' ' 83' ' ' ILE . 3.4 tp -58.5 -48.54 85.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . 1.032 HG23 HG13 ' A' ' 175' ' ' VAL . 0.6 OUTLIER -54.64 -65.44 0.58 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.404 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.611 ' N ' HG22 ' A' ' 17' ' ' THR . 0.0 OUTLIER -50.16 -35.85 27.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.997 HD13 ' CD2' ' A' ' 84' ' ' HIS . 0.7 OUTLIER -58.58 -33.78 70.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.001 HD21 HD22 ' A' ' 90' ' ' LEU . 0.6 OUTLIER -65.31 -45.05 85.89 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.955 ' HB ' HG21 ' A' ' 175' ' ' VAL . 0.5 OUTLIER -63.47 -65.04 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 1.016 ' CD1' HD12 ' A' ' 35' ' ' LEU . 0.7 OUTLIER -61.23 -32.56 72.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 111.033 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -76.13 -36.97 38.83 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 1.201 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 1.3 t80 -53.07 -56.43 16.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 0.752 . . . . 0.0 111.022 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 1.106 HD22 ' CE1' ' A' ' 171' ' ' PHE . 0.3 OUTLIER -57.84 -45.69 85.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.732 ' HB2' HD13 ' A' ' 35' ' ' LEU . 2.7 tt0 -52.9 -32.66 46.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.583 ' HB2' ' CA ' ' A' ' 88' ' ' ARG . 44.4 t -67.47 -97.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.984 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -143.37 38.12 1.39 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 110.018 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.557 ' HA3' ' CE1' ' A' ' 24' ' ' PHE . . . -82.0 -111.65 0.41 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.558 ' SG ' ' HB1' ' A' ' 160' ' ' ALA . 0.8 OUTLIER -76.66 -98.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.9 m -147.62 169.2 20.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.383 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.773 ' O ' HD23 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -51.91 -55.33 20.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.321 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -58.2 -26.69 63.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.301 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.751 ' C ' HD23 ' A' ' 25' ' ' LEU . 0.5 OUTLIER -68.61 -56.37 8.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.27 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 1.016 HD12 ' CD1' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -47.66 -38.94 15.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.255 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.534 ' N ' ' HG ' ' A' ' 35' ' ' LEU . 14.9 tt0 -72.38 -52.45 15.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 110.306 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.631 ' CG1' ' N ' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -55.39 -58.07 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.964 HD12 HD21 ' A' ' 25' ' ' LEU . 27.7 mt -67.28 -43.82 80.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.482 ' HA3' ' O ' ' A' ' 35' ' ' LEU . . . -52.1 -51.46 40.9 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.463 1.102 . . . . 0.0 110.976 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.403 ' O ' ' CG ' ' A' ' 40' ' ' ARG . 3.9 ptm180 -86.44 43.84 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.763 . . . . 0.0 110.293 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -143.72 100.73 3.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.329 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.773 ' C ' HD23 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -95.44 138.34 21.89 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -91.96 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.488 1.783 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.549 ' O ' ' CB ' ' A' ' 45' ' ' GLN . 2.4 t -129.21 142.26 44.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.549 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 1.2 mm-40 156.26 -73.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . 69.65 6.68 5.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.541 ' O ' ' CG ' ' A' ' 48' ' ' TRP . 2.6 t80 -61.02 -133.64 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.541 ' CG ' ' O ' ' A' ' 47' ' ' TYR . 0.1 OUTLIER 158.62 93.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 107.985 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.615 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -112.9 -155.36 0.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 110.292 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.615 ' HB2' ' O ' ' A' ' 49' ' ' GLU . . . 169.18 171.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.6 p-10 -153.51 -164.12 1.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.237 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.422 HD22 ' HA ' ' A' ' 52' ' ' LEU . 0.3 OUTLIER -178.37 116.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -47.97 169.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -167.47 176.01 6.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.074 . . . . 0.0 109.296 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 69.41 141.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.289 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.493 HD23 ' N ' ' A' ' 56' ' ' LEU . 2.5 pt? -146.62 -179.9 7.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.6 tp60 -118.49 96.45 5.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 21.0 p -89.8 164.87 14.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.403 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 166.12 156.14 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 149.8 146.88 4.41 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.47 1.106 . . . . 0.0 111.013 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.18 93.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.965 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -170.51 119.33 0.55 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.523 1.139 . . . . 0.0 110.339 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -48.37 143.17 4.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 175.83 179.62 0.16 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.464 1.103 . . . . 0.0 109.949 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -88.33 139.95 29.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.358 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 65' ' ' ARG . 14.0 p -35.95 109.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.976 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -105.52 141.65 36.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -144.38 156.4 44.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -127.89 -61.59 1.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.158 . . . . 0.0 110.333 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 124.34 -139.89 12.22 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.56 155.42 50.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 0.749 . . . . 0.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.2 tt -169.58 167.58 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.417 ' HA ' ' HD3' ' A' ' 74' ' ' PRO . 0.9 OUTLIER -92.48 139.64 23.88 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 73' ' ' GLU . 18.2 Cg_endo -75.02 113.86 3.89 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.435 1.755 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -49.97 154.35 1.13 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 34.2 m -68.89 77.58 0.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 110.019 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -146.06 59.9 1.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.266 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.7 m 58.1 86.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.043 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.44 177.21 6.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.309 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -72.38 58.83 0.41 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.45 1.094 . . . . 0.0 110.271 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -128.24 96.03 4.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 32.6 pt -88.43 -40.54 13.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.655 HG13 HD11 ' A' ' 16' ' ' ILE . 2.1 pt -52.95 -58.55 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.997 ' CD2' HD13 ' A' ' 19' ' ' LEU . 24.2 m80 -59.48 -34.75 72.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.601 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -58.01 -45.24 87.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.606 HG22 ' O ' ' A' ' 83' ' ' ILE . 1.6 tp -62.87 -35.76 72.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.941 ' HB1' ' HA ' ' A' ' 20' ' ' LEU . . . -55.09 -51.14 67.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.583 ' CA ' ' HB2' ' A' ' 27' ' ' SER . 7.4 mtp180 -65.9 -51.14 61.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.507 ' O ' ' HB ' ' A' ' 93' ' ' ILE . 45.0 t60 -54.68 -18.18 4.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.632 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 1.001 HD22 HD21 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -61.84 -61.5 2.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 1.201 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -53.83 -57.41 11.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.51 ' HG3' ' N ' ' A' ' 93' ' ' ILE . 0.6 OUTLIER -47.87 -31.28 4.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.624 HG22 ' HE2' ' A' ' 153' ' ' MET . 0.2 OUTLIER -72.06 -34.01 49.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 91' ' ' ALA . . . -57.09 -50.66 62.62 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.419 ' N ' ' HE3' ' A' ' 157' ' ' LYS . 25.7 t70 -61.78 -48.68 79.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 0.785 . . . . 0.0 109.339 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.03 -43.16 95.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 0.0 110.348 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.774 ' SD ' HD13 ' A' ' 150' ' ' ILE . 7.8 tpt -54.67 -39.39 68.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.572 1.17 . . . . 0.0 111.024 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 99' ' ' HIS . 13.3 t0 -42.06 -25.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.448 ' N ' ' C ' ' A' ' 97' ' ' MET . 20.4 t-160 -38.88 -64.58 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.601 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -146.79 89.4 1.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.824 HG23 ' O ' ' A' ' 101' ' ' ILE . 5.0 tt -112.76 73.34 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.699 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 4.0 mt-30 159.59 56.84 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.699 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.2 Cg_endo -75.01 12.11 1.29 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.485 1.782 . . . . 0.0 110.95 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.726 ' O ' ' CB ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER 173.87 -18.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.415 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.726 ' CB ' ' O ' ' A' ' 104' ' ' THR . 4.5 pp 139.96 34.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 1.146 HG22 ' CE1' ' A' ' 138' ' ' PHE . 1.4 t -62.58 -81.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.834 ' N ' HG12 ' A' ' 106' ' ' VAL . 0.5 OUTLIER -54.75 -12.88 0.86 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.253 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.44 ' HB2' ' HA ' ' A' ' 105' ' ' LEU . 3.6 tm0? -63.12 -51.85 64.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 1.041 ' CD1' ' H ' ' A' ' 110' ' ' ALA . 0.4 OUTLIER -61.79 -60.5 3.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 1.041 ' H ' ' CD1' ' A' ' 109' ' ' LEU . . . -53.33 -35.96 60.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.668 ' CB ' ' O ' ' A' ' 107' ' ' ARG . . . -68.09 -25.29 65.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.724 ' HG2' ' H ' ' A' ' 113' ' ' PHE . 2.2 pt20 -57.37 -50.78 71.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.275 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 1.102 ' CD2' ' HB2' ' A' ' 130' ' ' ALA . 1.3 p90 -68.72 -41.92 78.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.817 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -51.3 -39.4 56.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 111.013 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.682 ' HA ' HD21 ' A' ' 118' ' ' LEU . 26.0 m120 -136.01 73.91 1.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -119.6 -37.26 0.79 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.559 1.162 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.4 ' O ' ' HB2' ' A' ' 118' ' ' LEU . 44.0 t -154.32 -44.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 0.794 . . . . 0.0 109.987 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.682 HD21 ' HA ' ' A' ' 115' ' ' ASN . 2.7 mm? 67.52 81.86 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.48 ' O ' ' CG ' ' A' ' 120' ' ' GLU . 5.3 t -109.14 154.55 22.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.981 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.48 ' CG ' ' O ' ' A' ' 119' ' ' SER . 10.3 pt-20 46.69 34.12 2.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 110.328 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 68.97 60.89 0.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.274 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.469 ' HB2' HD12 ' A' ' 118' ' ' LEU . 38.7 t70 54.84 88.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.479 ' O ' HD21 ' A' ' 127' ' ' LEU . 0.0 OUTLIER -61.61 -159.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.541 ' HD3' ' CE1' ' A' ' 172' ' ' HIS . 1.4 ptp85 -122.12 -12.45 8.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.288 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.501 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 5.6 t30 -68.24 -42.11 80.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.752 ' SG ' HD23 ' A' ' 127' ' ' LEU . 1.7 p -51.84 -57.59 8.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 108.289 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.947 HD13 ' HA ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -53.54 -67.54 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.593 ' HB2' ' HG3' ' A' ' 180' ' ' GLN . . . -44.91 -29.76 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 125' ' ' ASN . 0.1 OUTLIER -62.46 -28.94 70.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 1.102 ' HB2' ' CD2' ' A' ' 113' ' ' PHE . . . -73.04 -39.16 66.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.677 ' N ' ' CZ ' ' A' ' 177' ' ' PHE . 0.0 OUTLIER -46.43 -48.69 18.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.595 ' N ' HD23 ' A' ' 131' ' ' LEU . 1.3 m-20 -73.75 -49.21 26.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.723 ' O ' HG22 ' A' ' 136' ' ' THR . 7.0 mm-40 -69.17 -58.15 4.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.133 . . . . 0.0 110.329 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 1.008 HG22 ' CE2' ' A' ' 138' ' ' PHE . 0.3 OUTLIER -45.21 -39.51 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.752 ' O ' ' CD ' ' A' ' 139' ' ' PRO . 32.9 mtmt -73.52 -29.35 62.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.723 HG22 ' O ' ' A' ' 133' ' ' GLU . 1.2 t -49.97 -21.47 1.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 110.403 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.904 ' HB3' ' CE1' ' A' ' 138' ' ' PHE . . . -107.98 -50.53 3.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 1.146 ' CE1' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -118.49 61.09 4.45 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 110.971 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.752 ' CD ' ' O ' ' A' ' 135' ' ' LYS . 18.2 Cg_endo -75.01 -80.26 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.458 1.768 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.862 ' CB ' ' HB2' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 33.33 -152.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.167 . . . . 0.0 110.316 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ASP . . . . . 0.786 ' O ' ' N ' ' A' ' 145' ' ' ASP . 2.5 m-20 -109.01 -140.01 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' MET . . . . . 0.673 ' HG3' ' CD2' ' A' ' 185' ' ' TYR . 6.8 ttt -40.61 -36.41 0.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -63.21 -66.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' ASN . . . . . 0.956 ' HB3' ' C ' ' A' ' 138' ' ' PHE . 0.9 OUTLIER -82.91 -47.43 11.81 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.786 ' N ' ' O ' ' A' ' 141' ' ' ASP . 11.8 t70 -40.6 -57.79 1.77 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.509 ' CG ' ' O ' ' A' ' 142' ' ' MET . 12.3 mmmt -52.44 -24.62 8.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.834 ' HB3' ' O ' ' A' ' 144' ' ' ASN . . . -59.65 -55.66 31.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 148' ' ' MET . . . . . 0.752 ' HG3' ' N ' ' A' ' 149' ' ' LEU . 0.4 OUTLIER -53.25 -50.07 65.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.752 ' N ' ' HG3' ' A' ' 148' ' ' MET . 0.2 OUTLIER -54.21 -50.44 67.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.774 HD13 ' SD ' ' A' ' 97' ' ' MET . 0.1 OUTLIER -52.22 -26.24 8.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 151' ' ' MET . . . . . 0.935 ' O ' ' CD2' ' A' ' 155' ' ' LEU . 6.4 tpp -62.61 -53.79 49.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 152' ' ' THR . . . . . 1.105 ' OG1' ' O ' ' A' ' 173' ' ' THR . 1.4 t -42.17 -44.95 3.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.387 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 153' ' ' MET . . . . . 0.66 ' SD ' HD23 ' A' ' 90' ' ' LEU . 3.4 mpp? -72.85 -24.83 60.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 1.004 ' C ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -59.71 -50.13 75.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.35 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 1.117 ' CB ' HG21 ' A' ' 173' ' ' THR . 0.0 OUTLIER -50.91 -59.95 3.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.995 ' HA ' HG22 ' A' ' 170' ' ' VAL . . . -57.21 -50.54 72.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.506 ' CE ' ' HA ' ' A' ' 157' ' ' LYS . 2.8 tppt? -45.72 -54.63 7.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 158' ' ' LYS . . . . . 0.986 ' O ' ' N ' ' A' ' 162' ' ' HIS . 0.0 OUTLIER -78.03 -59.06 2.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 159' ' ' VAL . . . . . 1.041 HG13 ' CB ' ' A' ' 163' ' ' ALA . 89.0 t -42.4 -55.33 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.558 ' HB1' ' SG ' ' A' ' 30' ' ' CYS . . . -32.51 -48.13 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.28 -10.44 11.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.025 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 162' ' ' HIS . . . . . 0.986 ' N ' ' O ' ' A' ' 158' ' ' LYS . 1.2 t60 -87.36 -51.57 5.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.62 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 1.041 ' CB ' HG13 ' A' ' 159' ' ' VAL . . . -97.71 146.27 31.15 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -30.36 7.24 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.478 1.778 . . . . 0.0 110.955 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.73 76.43 2.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.035 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.5 ' HB2' HG21 ' A' ' 170' ' ' VAL . 0.4 OUTLIER -95.34 30.25 2.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 167' ' ' LEU . . . . . 0.907 ' C ' HD22 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -72.51 -140.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 168' ' ' ARG . . . . . 0.708 ' H ' HD13 ' A' ' 167' ' ' LEU . 0.0 OUTLIER -52.94 -19.95 3.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 169' ' ' ASP . . . . . 0.433 ' N ' ' HG3' ' A' ' 168' ' ' ARG . 1.3 m-20 -63.88 -54.94 26.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 170' ' ' VAL . . . . . 0.995 HG22 ' HA ' ' A' ' 156' ' ' ALA . 1.2 t -54.37 -58.73 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 171' ' ' PHE . . . . . 1.106 ' CE1' HD22 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -57.14 -50.15 73.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 110.981 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 172' ' ' HIS . . . . . 0.619 ' HB2' ' O ' ' A' ' 168' ' ' ARG . 0.7 OUTLIER -51.62 -42.58 62.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.559 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 173' ' ' THR . . . . . 1.117 HG21 ' CB ' ' A' ' 155' ' ' LEU . 57.4 m -52.39 -47.39 66.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 110.414 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 174' ' ' THR . . . . . 0.975 ' HA ' HG23 ' A' ' 152' ' ' THR . 11.5 p -61.17 -64.63 0.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.435 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 175' ' ' VAL . . . . . 1.068 ' HA ' HD12 ' A' ' 178' ' ' ILE . 2.6 t -70.42 9.28 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 176' ' ' ASN . . . . . 0.935 ' HB2' HD12 ' A' ' 127' ' ' LEU . 0.0 OUTLIER -76.6 -58.87 3.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 177' ' ' PHE . . . . . 0.677 ' CZ ' ' N ' ' A' ' 131' ' ' LEU . 2.6 m-30 -62.62 -53.46 54.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 178' ' ' ILE . . . . . 1.068 HD12 ' HA ' ' A' ' 175' ' ' VAL . 0.0 OUTLIER -53.84 -42.24 51.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 179' ' ' ASN . . . . . 1.025 ' N ' HD13 ' A' ' 178' ' ' ILE . 16.6 t-20 -70.73 -42.4 70.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.255 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 180' ' ' GLN . . . . . 0.593 ' HG3' ' HB2' ' A' ' 128' ' ' ALA . 15.1 mm-40 -71.17 -23.98 62.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.336 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.656 ' C ' HD13 ' A' ' 182' ' ' LEU . 1.0 OUTLIER -109.14 -151.89 0.48 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 182' ' ' LEU . . . . . 0.806 HD13 ' N ' ' A' ' 182' ' ' LEU . 0.0 OUTLIER -95.0 80.58 3.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 183' ' ' PHE . . . . . 0.694 ' CG ' ' N ' ' A' ' 184' ' ' SER . 0.2 OUTLIER 23.43 -84.31 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 110.987 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 184' ' ' SER . . . . . 0.694 ' N ' ' CG ' ' A' ' 183' ' ' PHE . 39.9 t -100.96 147.83 25.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.028 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 185' ' ' TYR . . . . . 0.868 ' CE1' HG12 ' A' ' 186' ' ' VAL . 8.0 t80 -28.66 145.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 111.0 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 186' ' ' VAL . . . . . 0.868 HG12 ' CE1' ' A' ' 185' ' ' TYR . 5.0 p -40.04 -30.56 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.655 ' HB2' ' CE2' ' A' ' 185' ' ' TYR . 0.0 OUTLIER -54.81 -53.96 48.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 188' ' ' ASN . . . . . 0.518 ' CB ' ' HB3' ' A' ' 184' ' ' SER . 2.4 m120 -62.94 -43.93 97.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.675 HD13 ' HB3' ' A' ' 182' ' ' LEU . 14.1 tp -53.04 -46.4 68.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 190' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 186' ' ' VAL . 43.0 t -58.64 -44.54 89.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -59.95 -48.83 80.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.288 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -55.75 -49.17 73.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.08 142.42 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 194' ' ' MET . . . . . . . . . . . . . 14.4 ttt -117.41 130.34 56.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.954 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 6.7 t0 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.7 ptt? . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.516 0.198 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 169.38 -179.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.83 170.85 0.67 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 110.011 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 176.1 160.4 0.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.257 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.4 p -173.21 165.42 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 t -169.76 175.47 5.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.988 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -174.15 179.3 1.91 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -170.26 178.42 43.01 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.446 1.091 . . . . 0.0 111.012 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 m -150.28 -173.97 4.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 0.771 . . . . 0.0 109.967 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -134.93 -166.02 10.99 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.542 1.152 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 68.45 140.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 109.329 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.434 ' O ' ' CG2' ' A' ' 186' ' ' VAL . . . 177.03 -154.59 16.28 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.504 1.127 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.443 ' HA ' HG23 ' A' ' 186' ' ' VAL . . . -106.61 178.93 4.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 0.77 . . . . 0.0 109.249 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.475 ' HD3' HG21 ' A' ' 178' ' ' ILE . 1.3 mmtp -129.27 2.7 5.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.907 ' CE1' HG23 ' A' ' 16' ' ' ILE . 3.2 p-80 -61.58 -44.31 97.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.566 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.907 HG23 ' CE1' ' A' ' 15' ' ' HIS . 4.4 pt -68.45 47.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.911 HG22 HG13 ' A' ' 175' ' ' VAL . 4.8 m -49.65 -52.16 32.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.376 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.58 -40.23 18.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.779 ' CB ' HD12 ' A' ' 16' ' ' ILE . 3.6 mm? -63.8 -28.37 69.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.096 ' CD2' HD22 ' A' ' 90' ' ' LEU . 2.5 tm? -65.02 -43.81 91.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.905 ' HB ' HG21 ' A' ' 175' ' ' VAL . 0.5 OUTLIER -60.24 -63.33 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.792 ' CD2' ' HA3' ' A' ' 39' ' ' GLY . 4.3 t80 -62.95 -32.58 73.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.543 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -74.6 -35.83 50.39 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 1.202 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 5.4 t80 -54.14 -58.67 6.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 0.772 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 1.02 HD22 ' CE1' ' A' ' 171' ' ' PHE . 0.3 OUTLIER -55.9 -44.4 78.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.739 ' HB3' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -53.09 -32.71 48.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.594 ' N ' ' HG3' ' A' ' 26' ' ' GLN . 41.0 t -68.52 -96.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.958 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -142.16 20.25 2.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.987 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.616 ' HA3' ' CE1' ' A' ' 24' ' ' PHE . . . -57.9 -104.08 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.512 1.133 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.583 ' H ' HD12 ' A' ' 25' ' ' LEU . 40.4 t -91.56 -95.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 34' ' ' GLU . 0.5 OUTLIER -145.31 153.35 41.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.461 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.52 -57.03 3.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.329 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.972 ' O ' HG23 ' A' ' 37' ' ' VAL . 7.7 tt0 -54.96 -26.24 35.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.427 1.079 . . . . 0.0 110.28 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.69 ' C ' HD23 ' A' ' 25' ' ' LEU . 1.5 tp10 -66.79 -55.77 13.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 1.097 HD23 ' N ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -47.34 -34.75 7.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 1.097 ' N ' HD23 ' A' ' 35' ' ' LEU . 20.8 tt0 -70.26 -44.9 67.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.102 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.972 HG23 ' O ' ' A' ' 33' ' ' GLN . 3.7 t -63.87 -59.86 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.176 ' HB2' ' CD2' ' A' ' 171' ' ' PHE . 0.4 OUTLIER -65.75 -41.47 92.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.248 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.792 ' HA3' ' CD2' ' A' ' 22' ' ' PHE . . . -49.58 -43.99 37.23 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.485 1.116 . . . . 0.0 111.021 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.0 ptt85 176.0 113.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 0.764 . . . . 0.0 110.276 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -141.79 98.57 3.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.317 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -101.71 106.89 49.25 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 44' ' ' VAL . 18.2 Cg_endo -75.0 135.49 19.14 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.507 1.793 . . . . 0.0 110.975 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.53 ' O ' HG13 ' A' ' 44' ' ' VAL . 10.0 p -39.63 102.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.525 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 10.5 tt0 158.65 130.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 110.309 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 47' ' ' TYR . . . -156.92 -49.77 0.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.541 ' O ' ' CB ' ' A' ' 48' ' ' TRP . 2.5 t80 -35.55 126.49 0.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.541 ' CB ' ' O ' ' A' ' 47' ' ' TYR . 0.1 OUTLIER 158.12 159.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 108.027 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.695 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 0.6 OUTLIER 69.14 132.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.269 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.695 ' HB2' ' O ' ' A' ' 49' ' ' GLU . . . 162.38 118.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.472 ' O ' ' C ' ' A' ' 52' ' ' LEU . 0.8 OUTLIER -177.04 89.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.472 ' C ' ' O ' ' A' ' 51' ' ' ASP . 0.8 OUTLIER -34.2 147.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -167.78 118.54 0.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 110.266 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -175.19 156.61 2.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 178.39 84.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 110.271 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.5 tp 60.74 152.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 178.61 105.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 47.1 p -86.52 159.21 19.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 110.38 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -179.8 -58.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 113.25 -94.38 0.71 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.53 1.144 . . . . 0.0 110.966 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 49.4 m 61.67 169.87 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.769 . . . . 0.0 110.023 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 71.23 141.97 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -127.18 -64.01 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 30.9 p -178.84 -60.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.038 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.453 ' O ' ' CB ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -139.53 130.9 26.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.303 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 65' ' ' ARG . 1.4 t 163.43 74.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.973 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -139.72 94.11 2.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -158.4 108.87 2.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 61.68 86.03 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 110.298 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -54.58 -87.21 0.02 OUTLIER Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.496 1.123 . . . . 0.0 110.98 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.0 mtt-85 -104.3 -2.33 25.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 0.773 . . . . 0.0 110.282 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.548 HG22 ' O ' ' A' ' 72' ' ' ILE . 7.0 mt -80.08 84.51 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -86.86 151.82 52.84 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.255 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 69.45 5.57 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.477 1.777 . . . . 0.0 110.958 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -107.7 70.01 0.76 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.9 t -55.35 145.71 21.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.959 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -81.51 59.22 3.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 110.258 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 41.04 -153.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.982 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -133.53 -45.81 0.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.3 pm0 -65.89 -21.3 66.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.294 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 43.02 50.36 5.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 110.314 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.488 ' O ' ' HB2' ' A' ' 85' ' ' ASN . 7.3 mm -98.4 -13.09 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.511 ' O ' HG22 ' A' ' 86' ' ' ILE . 1.5 mp -53.38 -40.76 41.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.342 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.41 ' NE2' ' HG ' ' A' ' 19' ' ' LEU . 47.5 m80 -64.31 -41.87 96.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.633 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.488 ' HB2' ' O ' ' A' ' 82' ' ' ILE . 25.3 m120 -52.35 -45.45 65.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.511 HG22 ' O ' ' A' ' 83' ' ' ILE . 0.6 OUTLIER -61.82 -50.39 80.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.967 ' HB1' ' HA ' ' A' ' 20' ' ' LEU . . . -53.36 -37.64 62.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.542 ' O ' ' CB ' ' A' ' 27' ' ' SER . 3.6 ttm180 -64.67 -51.76 60.85 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.833 ' NE2' HD13 ' A' ' 93' ' ' ILE . 86.4 t60 -53.24 -19.55 3.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.582 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 1.096 HD22 ' CD2' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -58.69 -71.67 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.339 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 1.202 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -51.44 -48.08 62.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.253 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -50.03 -41.49 47.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.297 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.95 HG22 ' O ' ' A' ' 90' ' ' LEU . 2.2 tp -67.84 -25.81 33.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.55 ' CA ' ' HD2' ' A' ' 157' ' ' LYS . . . -62.39 -52.67 47.62 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.491 1.119 . . . . 0.0 110.944 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -58.49 -52.18 66.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 0.729 . . . . 0.0 109.315 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -43.1 96.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.269 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.537 ' CB ' ' O ' ' A' ' 93' ' ' ILE . 36.4 tpp -54.5 -38.97 67.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.976 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.467 ' O ' ' C ' ' A' ' 99' ' ' HIS . 26.2 t70 -40.81 -27.09 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.47 ' N ' ' C ' ' A' ' 97' ' ' MET . 1.4 m-70 -35.24 -66.04 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.633 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 47.0 m-20 -146.2 89.63 1.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.779 HG23 ' O ' ' A' ' 101' ' ' ILE . 12.4 tt -105.99 78.17 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.774 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 0.1 OUTLIER 159.99 54.71 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 0.0 110.275 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.774 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.3 Cg_endo -74.98 -20.81 16.54 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.508 1.794 . . . . 0.0 110.976 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.958 ' O ' HD23 ' A' ' 105' ' ' LEU . 33.6 p -146.28 7.88 1.04 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 110.449 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.958 HD23 ' O ' ' A' ' 104' ' ' THR . 0.2 OUTLIER 102.58 31.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 1.175 ' O ' ' CD1' ' A' ' 109' ' ' LEU . 1.2 t -60.77 -63.7 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.08 . . . . 0.0 109.254 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 1.053 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 0.1 OUTLIER -67.18 -13.65 62.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.573 ' O ' ' HB3' ' A' ' 111' ' ' ALA . 0.0 OUTLIER -62.15 -61.08 2.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 1.175 ' CD1' ' O ' ' A' ' 106' ' ' VAL . 0.1 OUTLIER -61.04 -61.68 2.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.988 ' HB2' ' CG2' ' A' ' 134' ' ' VAL . . . -52.79 -17.81 1.55 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 1.053 ' HB2' ' O ' ' A' ' 107' ' ' ARG . . . -82.11 -56.17 4.1 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 1.078 ' HG3' ' O ' ' A' ' 109' ' ' LEU . 0.5 OUTLIER -40.27 -54.56 2.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 1.248 ' CD2' ' HB2' ' A' ' 130' ' ' ALA . 0.2 OUTLIER -62.09 -40.75 96.89 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.676 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 5.5 tpt -56.43 59.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 111.018 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.746 ' N ' ' O ' ' A' ' 113' ' ' PHE . 1.6 t-20 -144.03 -151.31 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.493 ' HA3' ' HZ2' ' A' ' 123' ' ' LYS . . . 96.26 -163.94 23.26 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 25.3 m -156.75 50.45 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 0.748 . . . . 0.0 110.064 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 1.083 HD11 HD13 ' A' ' 166' ' ' LEU . 2.0 mm? 67.66 90.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.415 ' HB2' ' HZ3' ' A' ' 123' ' ' LYS . 0.1 OUTLIER -106.34 118.55 36.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.018 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 73.48 16.58 3.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.287 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.438 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 1.4 mt-10 65.4 77.2 0.31 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.577 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 0.2 OUTLIER 159.69 -87.86 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.577 ' CB ' ' O ' ' A' ' 122' ' ' ASP . 2.2 tppt? 94.0 68.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.62 ' HA ' HD21 ' A' ' 127' ' ' LEU . 0.0 OUTLIER -112.5 -12.42 13.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.524 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 4.8 p30 -72.65 -42.3 64.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.698 ' SG ' ' N ' ' A' ' 127' ' ' LEU . 1.7 p -49.38 -53.83 20.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 108.34 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.843 HD13 ' HB2' ' A' ' 176' ' ' ASN . 0.0 OUTLIER -52.84 -69.97 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.454 ' O ' ' HB3' ' A' ' 131' ' ' LEU . . . -47.63 -27.93 2.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.524 ' HB2' ' O ' ' A' ' 125' ' ' ASN . 0.0 OUTLIER -55.65 -35.3 65.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 1.248 ' HB2' ' CD2' ' A' ' 113' ' ' PHE . . . -72.49 -40.69 66.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.635 ' O ' ' CB ' ' A' ' 135' ' ' LYS . 0.0 OUTLIER -43.76 -41.63 5.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.488 ' O ' ' HB ' ' A' ' 136' ' ' THR . 0.4 OUTLIER -72.96 -52.3 15.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.679 ' O ' HG22 ' A' ' 136' ' ' THR . 1.4 mt-10 -73.66 -59.19 2.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.271 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.988 ' CG2' ' HB2' ' A' ' 110' ' ' ALA . 1.1 t -45.93 -39.27 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.739 ' HG3' ' HA ' ' A' ' 139' ' ' PRO . 0.0 OUTLIER -74.87 -38.13 62.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.679 HG22 ' O ' ' A' ' 133' ' ' GLU . 0.7 OUTLIER -51.56 -19.6 1.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 110.423 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.835 ' HB3' ' CE1' ' A' ' 138' ' ' PHE . . . -103.41 -51.93 3.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 0.896 ' CZ ' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -119.1 65.51 7.5 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.739 ' HA ' ' HG3' ' A' ' 135' ' ' LYS . 18.3 Cg_endo -75.01 -91.41 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.542 1.811 . . . . 0.0 110.978 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.726 ' CB ' ' HB2' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 40.49 -168.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 110.284 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ASP . . . . . 0.645 ' O ' ' N ' ' A' ' 145' ' ' ASP . 4.7 m-20 -94.5 -143.65 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' MET . . . . . 0.608 ' HA ' ' CE2' ' A' ' 185' ' ' TYR . 0.0 OUTLIER -44.59 -34.28 2.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 111.043 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -55.82 -69.09 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' ASN . . . . . 0.749 ' O ' ' N ' ' A' ' 147' ' ' ALA . 4.1 m-20 -80.15 -41.74 24.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.645 ' N ' ' O ' ' A' ' 141' ' ' ASP . 83.4 m-20 -36.53 -52.0 0.85 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.534 ' HB2' ' CZ ' ' A' ' 185' ' ' TYR . 11.8 ttpt -53.41 -30.65 41.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.248 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.749 ' N ' ' O ' ' A' ' 144' ' ' ASN . . . -55.64 -56.8 16.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 148' ' ' MET . . . . . 0.769 ' HG3' ' N ' ' A' ' 149' ' ' LEU . 0.0 OUTLIER -52.84 -42.18 64.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.769 ' N ' ' HG3' ' A' ' 148' ' ' MET . 89.8 mt -55.84 -48.5 75.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.639 HG23 ' CE ' ' A' ' 153' ' ' MET . 2.5 mt -51.07 -28.26 6.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.254 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 151' ' ' MET . . . . . 0.944 ' SD ' HG13 ' A' ' 106' ' ' VAL . 36.1 mmm -66.68 -50.69 62.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 152' ' ' THR . . . . . 1.129 ' OG1' ' O ' ' A' ' 173' ' ' THR . 1.0 OUTLIER -42.17 -50.43 4.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 110.445 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 153' ' ' MET . . . . . 0.639 ' CE ' HG23 ' A' ' 150' ' ' ILE . 5.4 ptt? -70.58 -26.45 63.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 111.001 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.991 ' C ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -54.33 -49.98 68.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 1.143 ' O ' HG23 ' A' ' 159' ' ' VAL . 0.0 OUTLIER -52.39 -56.65 13.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.334 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 1.049 ' HA ' HG22 ' A' ' 170' ' ' VAL . . . -56.21 -52.03 65.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.665 ' HA ' ' CB ' ' A' ' 161' ' ' SER . 1.3 mtpm? -47.3 -52.66 15.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 158' ' ' LYS . . . . . 0.601 ' O ' ' CB ' ' A' ' 162' ' ' HIS . 17.3 ptmt -73.71 -42.07 61.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 159' ' ' VAL . . . . . 1.143 HG23 ' O ' ' A' ' 155' ' ' LEU . 24.8 t -70.01 -134.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.355 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.924 ' H ' HG12 ' A' ' 159' ' ' VAL . . . -25.9 -62.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.251 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 161' ' ' SER . . . . . 0.665 ' CB ' ' HA ' ' A' ' 157' ' ' LYS . 0.4 OUTLIER -48.86 -13.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.01 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 162' ' ' HIS . . . . . 0.969 ' N ' ' O ' ' A' ' 159' ' ' VAL . 0.6 OUTLIER -148.31 -44.22 0.16 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.428 1.08 . . . . 0.0 109.614 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 1.085 ' N ' ' O ' ' A' ' 159' ' ' VAL . . . -108.61 94.68 14.51 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 164' ' ' PRO . . . . . 0.515 ' HD3' ' O ' ' A' ' 162' ' ' HIS . 18.3 Cg_endo -75.03 74.28 4.07 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.508 1.794 . . . . 0.0 110.975 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.99 -73.73 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.982 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 1.083 HD13 HD11 ' A' ' 118' ' ' LEU . 0.2 OUTLIER -123.08 79.9 1.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 167' ' ' LEU . . . . . 0.976 ' HB2' HD21 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -52.38 -25.81 10.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.348 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 168' ' ' ARG . . . . . 0.881 HH21 HD12 ' A' ' 118' ' ' LEU . 18.8 ptt180 -60.75 -49.84 75.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 169' ' ' ASP . . . . . 0.625 ' N ' ' CG ' ' A' ' 168' ' ' ARG . 65.7 t0 -65.64 -31.92 73.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 170' ' ' VAL . . . . . 1.049 HG22 ' HA ' ' A' ' 156' ' ' ALA . 0.9 OUTLIER -51.24 -65.63 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.255 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 171' ' ' PHE . . . . . 1.176 ' CD2' ' HB2' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -53.74 -51.69 62.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 110.971 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 172' ' ' HIS . . . . . 0.611 ' O ' ' HB3' ' A' ' 176' ' ' ASN . 0.5 OUTLIER -52.06 -42.2 62.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.56 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 173' ' ' THR . . . . . 1.129 ' O ' ' OG1' ' A' ' 152' ' ' THR . 85.7 m -55.9 -39.8 72.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.413 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 174' ' ' THR . . . . . 1.03 ' HA ' HG23 ' A' ' 152' ' ' THR . 11.7 p -65.63 -72.85 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.39 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 175' ' ' VAL . . . . . 0.911 HG13 HG22 ' A' ' 17' ' ' THR . 40.0 t -66.51 10.69 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 176' ' ' ASN . . . . . 0.843 ' HB2' HD13 ' A' ' 127' ' ' LEU . 0.0 OUTLIER -77.54 -61.23 2.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 177' ' ' PHE . . . . . 0.909 ' HZ ' ' HB3' ' A' ' 130' ' ' ALA . 2.5 m-30 -62.16 -53.79 50.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 178' ' ' ILE . . . . . 0.617 ' CG2' HG23 ' A' ' 17' ' ' THR . 2.3 mt -51.64 -46.69 38.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 179' ' ' ASN . . . . . 0.575 ' N ' HG21 ' A' ' 17' ' ' THR . 6.8 t-20 -62.22 -41.29 98.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.238 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -94.75 11.47 31.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.704 ' CG ' HD22 ' A' ' 182' ' ' LEU . 41.9 t30 -95.55 -137.43 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 182' ' ' LEU . . . . . 0.704 HD22 ' CG ' ' A' ' 181' ' ' ASN . 0.1 OUTLIER -91.14 18.48 6.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 183' ' ' PHE . . . . . 0.793 ' O ' ' CG ' ' A' ' 183' ' ' PHE . 13.5 t80 23.52 48.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.96 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 184' ' ' SER . . . . . 0.557 ' CB ' ' O ' ' A' ' 183' ' ' PHE . 0.5 OUTLIER 155.39 43.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.991 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 185' ' ' TYR . . . . . 0.608 ' CE2' ' HA ' ' A' ' 142' ' ' MET . 10.0 t80 -46.92 -56.84 5.68 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 186' ' ' VAL . . . . . 0.738 ' O ' HG13 ' A' ' 190' ' ' VAL . 19.8 m -65.3 -44.0 94.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.165 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.589 ' O ' HG22 ' A' ' 190' ' ' VAL . 0.0 OUTLIER -54.88 -43.63 73.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.309 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 188' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -63.19 -41.29 99.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.509 ' O ' ' OD1' ' A' ' 192' ' ' ASN . 0.7 OUTLIER -56.13 -54.28 47.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 109.348 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 190' ' ' VAL . . . . . 0.738 HG13 ' O ' ' A' ' 186' ' ' VAL . 0.9 OUTLIER -62.84 -41.16 91.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 191' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 187' ' ' ARG . 0.0 OUTLIER -54.25 -55.75 25.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 192' ' ' ASN . . . . . 0.514 ' C ' ' ND2' ' A' ' 192' ' ' ASN . 0.4 OUTLIER -63.36 -43.37 97.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 193' ' ' GLU . . . . . 0.514 ' N ' ' ND2' ' A' ' 192' ' ' ASN . 1.0 OUTLIER -85.3 65.84 9.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.331 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 194' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -174.14 -45.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 111.002 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 13.7 t70 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.461 0.172 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -178.37 173.07 1.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.5 m -119.6 -177.85 3.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.964 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -143.95 53.62 1.3 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 0.0 110.287 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.54 HG21 ' OE1' ' A' ' 121' ' ' GLU . 11.7 p -155.67 160.93 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 169.39 156.42 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.011 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -178.13 171.71 1.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.255 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -94.66 -149.87 26.23 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.522 1.139 . . . . 0.0 110.957 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.6 t -135.81 -93.44 0.26 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 0.763 . . . . 0.0 109.967 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 147.36 -142.26 10.07 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.517 1.135 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 68.4 175.12 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 0.784 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -101.39 161.22 18.13 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.448 1.093 . . . . 0.0 111.026 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.565 ' O ' ' CB ' ' A' ' 14' ' ' LYS . . . 62.6 100.97 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 0.774 . . . . 0.0 109.331 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.565 ' CB ' ' O ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER 158.58 -17.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -51.84 -51.16 58.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.636 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 1.171 HG21 ' CE1' ' A' ' 183' ' ' PHE . 5.4 tp -54.35 -49.4 64.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . 1.026 ' CG2' HG13 ' A' ' 175' ' ' VAL . 0.2 OUTLIER -52.44 -40.37 62.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.404 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.873 ' O ' HG23 ' A' ' 21' ' ' VAL . 1.0 OUTLIER -47.62 -39.01 15.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.489 HD13 ' HA ' ' A' ' 19' ' ' LEU . 1.8 mm? -70.18 -27.61 64.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.07 ' CD1' HD22 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -60.66 -54.54 44.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.35 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 1.127 HG22 HG21 ' A' ' 175' ' ' VAL . 0.0 OUTLIER -53.53 -60.91 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 109.296 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.892 ' O ' HD12 ' A' ' 35' ' ' LEU . 2.8 t80 -56.97 -35.89 69.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -71.79 -36.21 61.69 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 1.173 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 0.9 OUTLIER -53.86 -57.67 10.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 111.01 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.899 HD23 ' N ' ' A' ' 35' ' ' LEU . 0.3 OUTLIER -57.57 -43.08 84.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -30.67 67.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.334 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.577 ' CB ' ' O ' ' A' ' 88' ' ' ARG . 43.6 t -71.69 -65.24 0.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.029 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.501 ' O ' ' C ' ' A' ' 29' ' ' GLY . 5.5 m -142.68 -89.4 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.029 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.501 ' C ' ' O ' ' A' ' 28' ' ' SER . . . 29.4 -128.52 0.1 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.468 1.105 . . . . 0.0 110.984 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.657 ' HB3' ' CB ' ' A' ' 34' ' ' GLU . 49.0 t -75.05 -109.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.649 HG23 ' HG3' ' A' ' 33' ' ' GLN . 4.3 t -145.26 172.59 12.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.432 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.63 ' O ' HD23 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -48.12 -51.11 26.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.924 ' O ' HG23 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -54.46 -28.19 42.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 110.322 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.843 ' CG ' HD21 ' A' ' 25' ' ' LEU . 3.6 tp10 -68.63 -58.95 3.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.899 ' N ' HD23 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -44.69 -35.31 2.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.265 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.507 ' N ' HD23 ' A' ' 35' ' ' LEU . 1.9 tt0 -69.67 -39.67 76.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.258 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.924 HG23 ' O ' ' A' ' 33' ' ' GLN . 20.1 t -64.48 -60.99 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.157 ' HB2' ' CD2' ' A' ' 171' ' ' PHE . 0.3 OUTLIER -64.07 -44.57 92.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.621 ' HA3' ' CD1' ' A' ' 22' ' ' PHE . . . -46.21 -52.4 10.41 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.416 ' O ' ' O ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER 173.49 -160.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 0.751 . . . . 0.0 110.312 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -142.55 97.27 3.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.318 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -99.08 123.95 47.09 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -57.29 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.486 1.782 . . . . 0.0 110.974 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.591 ' O ' ' CB ' ' A' ' 45' ' ' GLN . 8.4 p -40.81 -35.67 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.591 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 17.3 tt0 152.6 156.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.45 ' N ' ' CG ' ' A' ' 45' ' ' GLN . . . -70.71 60.5 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.591 ' O ' ' CB ' ' A' ' 48' ' ' TRP . 6.3 t80 -33.41 140.22 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.591 ' CB ' ' O ' ' A' ' 47' ' ' TYR . 2.0 t-105 154.32 160.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.416 ' N ' ' CG ' ' A' ' 48' ' ' TRP . 0.6 OUTLIER -166.24 -179.23 4.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.312 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 49' ' ' GLU . . . 59.42 154.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.42 ' O ' ' O ' ' A' ' 52' ' ' LEU . 0.7 OUTLIER 170.43 165.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.337 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.666 HD23 ' C ' ' A' ' 52' ' ' LEU . 0.3 OUTLIER 57.78 158.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.454 ' N ' HD23 ' A' ' 52' ' ' LEU . 18.3 tt0 -174.75 101.9 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.19 176.21 5.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.415 ' O ' ' CB ' ' A' ' 56' ' ' LEU . 28.8 tt0 -170.99 146.07 2.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.415 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 0.5 OUTLIER 81.47 147.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -169.36 152.14 4.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.626 ' O ' HG23 ' A' ' 58' ' ' THR . 15.0 t -153.47 100.8 2.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.415 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -134.61 158.47 43.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -164.82 167.02 38.37 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.467 1.104 . . . . 0.0 110.973 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.8 t -148.39 142.21 25.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 0.77 . . . . 0.0 110.032 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.23 -63.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 110.277 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.449 ' O ' ' CB ' ' A' ' 64' ' ' SER . . . -41.9 -65.73 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.348 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' A' ' 63' ' ' ALA . 0.2 OUTLIER 82.25 -57.2 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 110.028 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.545 ' O ' ' CB ' ' A' ' 66' ' ' SER . 6.5 ttt-85 -87.01 90.64 8.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 65' ' ' ARG . 2.1 p 156.01 174.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 110.003 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -126.57 158.48 36.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 173.66 91.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -87.61 176.92 7.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.156 . . . . 0.0 110.28 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -171.1 165.72 38.86 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.92 176.91 5.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.7 pp -108.92 120.72 60.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -87.95 148.85 44.3 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.332 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 174.83 12.11 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.545 1.813 . . . . 0.0 110.964 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -146.56 -176.54 5.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 70.7 m -83.41 179.33 7.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 110.021 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -119.32 157.76 27.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.9 p -164.5 130.87 2.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.98 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 81' ' ' GLU . 1.8 mt-30 177.65 162.7 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.273 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.18 64.17 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.122 . . . . 0.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 79' ' ' GLN . 1.3 pt-20 177.08 73.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.319 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.1 pp -80.71 -34.91 14.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.604 ' O ' HG22 ' A' ' 86' ' ' ILE . 59.4 mt -53.49 -50.78 47.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.617 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 28.0 m80 -62.31 -34.14 76.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.602 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.439 ' HA ' ' CZ ' ' A' ' 88' ' ' ARG . 3.8 t-20 -56.47 -49.93 73.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.604 HG22 ' O ' ' A' ' 83' ' ' ILE . 1.0 OUTLIER -62.77 -32.52 56.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.924 ' HB1' ' HA ' ' A' ' 20' ' ' LEU . . . -52.81 -48.2 67.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.577 ' O ' ' CB ' ' A' ' 27' ' ' SER . 0.2 OUTLIER -67.63 -40.86 84.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.09 . . . . 0.0 110.295 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.546 ' O ' ' HB ' ' A' ' 93' ' ' ILE . 15.2 t-160 -57.16 -18.8 16.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.617 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 1.07 HD22 ' CD1' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -56.35 -70.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 1.173 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -53.04 -52.18 59.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -53.18 -27.14 19.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.546 ' HB ' ' O ' ' A' ' 89' ' ' HIS . 0.1 OUTLIER -68.06 -36.83 76.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.613 ' CA ' ' HG3' ' A' ' 153' ' ' MET . . . -59.18 -53.5 45.79 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.455 1.097 . . . . 0.0 110.98 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -54.73 -48.08 73.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 0.796 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -37.3 87.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 110.304 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.602 ' CG ' ' N ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER -49.88 -49.97 47.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.602 ' N ' ' CG ' ' A' ' 97' ' ' MET . 22.9 t0 -38.35 -31.26 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 97' ' ' MET . 11.8 t-160 -52.82 -62.83 1.39 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.602 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -148.41 88.49 1.64 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 1.034 HD12 HG21 ' A' ' 106' ' ' VAL . 0.2 OUTLIER -129.52 98.06 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.362 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.885 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 2.2 pt20 160.05 51.01 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.885 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.2 Cg_endo -75.0 -12.42 21.51 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.509 1.794 . . . . 0.0 110.968 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.72 ' O ' HD12 ' A' ' 105' ' ' LEU . 0.5 OUTLIER -161.07 3.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.72 HD12 ' O ' ' A' ' 104' ' ' THR . 2.0 mt 103.52 41.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 1.034 HG21 HD12 ' A' ' 101' ' ' ILE . 1.4 m -50.32 -86.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.893 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 0.0 OUTLIER -48.35 -22.33 0.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.283 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.566 ' O ' ' HB3' ' A' ' 111' ' ' ALA . 3.0 mm-40 -65.78 -52.54 49.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 1.152 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 0.5 OUTLIER -68.03 -63.01 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.236 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 1.149 ' N ' HD12 ' A' ' 109' ' ' LEU . . . -48.26 -23.13 0.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.893 ' HB2' ' O ' ' A' ' 107' ' ' ARG . . . -68.26 -52.6 32.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.577 1.173 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 1.152 ' HG3' ' O ' ' A' ' 109' ' ' LEU . 0.6 OUTLIER -49.46 -39.15 32.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 1.086 ' CE2' HD11 ' A' ' 155' ' ' LEU . 0.0 OUTLIER -61.17 -50.26 73.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 111.036 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.783 ' HG3' HD12 ' A' ' 155' ' ' LEU . 1.1 ttm -52.81 127.57 23.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -142.77 99.53 3.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 109.354 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -76.57 101.06 1.48 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.44 ' C ' HD22 ' A' ' 118' ' ' LEU . 2.9 m -154.82 -52.56 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.532 0.784 . . . . 0.0 109.974 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.449 HD12 ' HA ' ' A' ' 122' ' ' ASP . 1.9 mm? 70.63 91.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.593 ' O ' ' CB ' ' A' ' 120' ' ' GLU . 1.7 m -140.05 74.15 1.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.991 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.593 ' CB ' ' O ' ' A' ' 119' ' ' SER . 4.3 mt-10 152.41 2.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.571 ' CB ' ' O ' ' A' ' 120' ' ' GLU . 1.8 mm-40 91.53 49.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 121' ' ' GLU . 3.9 t70 83.05 123.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.447 ' O ' HD21 ' A' ' 127' ' ' LEU . 0.0 OUTLIER -102.13 132.17 48.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.558 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -118.4 -14.25 9.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.472 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 4.6 m120 -69.36 -40.27 77.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.647 ' SG ' HD23 ' A' ' 127' ' ' LEU . 14.2 p -51.49 -53.54 36.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 108.272 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.85 ' HA ' ' CE1' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -57.45 -68.62 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -44.41 -28.24 0.53 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.145 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.484 ' HB2' ' O ' ' A' ' 126' ' ' CYS . 7.2 mttt -63.46 -33.74 76.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.977 ' O ' HG12 ' A' ' 134' ' ' VAL . . . -71.35 -41.05 70.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.793 ' N ' ' CZ ' ' A' ' 177' ' ' PHE . 0.2 OUTLIER -48.17 -43.67 31.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.677 ' O ' ' HB ' ' A' ' 136' ' ' THR . 5.6 m-20 -63.84 -50.72 67.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.742 ' CB ' HD13 ' A' ' 109' ' ' LEU . 6.9 mm-40 -53.81 -63.86 1.01 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 110.294 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.977 HG12 ' O ' ' A' ' 130' ' ' ALA . 0.2 OUTLIER -53.91 -36.75 31.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.47 ' HB2' ' SD ' ' A' ' 148' ' ' MET . 0.1 OUTLIER -78.86 4.14 14.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.677 ' HB ' ' O ' ' A' ' 132' ' ' ASP . 0.6 OUTLIER -121.08 -18.36 7.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.366 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.754 ' HB3' ' CE1' ' A' ' 138' ' ' PHE . . . -99.57 -51.21 3.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 1.109 ' CZ ' HD23 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -118.78 57.39 3.24 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.703 ' HD3' ' C ' ' A' ' 137' ' ' ALA . 18.3 Cg_endo -74.97 147.27 33.82 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.413 1.744 . . . . 0.0 110.968 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.841 ' N ' ' CB ' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 167.67 -154.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ASP . . . . . 0.609 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 11.5 m-20 -96.82 -111.25 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' MET . . . . . 0.589 ' HA ' ' CE2' ' A' ' 185' ' ' TYR . 5.0 ptt? -60.68 -38.45 85.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' GLU . . . . . 0.579 ' HG2' ' HB3' ' A' ' 140' ' ' ARG . 0.0 OUTLIER -63.2 -57.92 8.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.278 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 144' ' ' ASN . . . . . 0.841 ' CB ' ' N ' ' A' ' 140' ' ' ARG . 2.4 t30 -69.73 -59.43 2.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.627 ' OD2' ' CE1' ' A' ' 185' ' ' TYR . 77.3 m-20 -40.44 -53.03 2.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 142' ' ' MET . 11.4 ttpt -62.42 -33.83 75.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.562 ' HB3' ' O ' ' A' ' 144' ' ' ASN . . . -61.43 -55.1 35.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 148' ' ' MET . . . . . 0.685 ' HA ' HG21 ' A' ' 134' ' ' VAL . 1.1 mtp -48.25 -57.86 5.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 111.031 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.953 HD23 HD11 ' A' ' 90' ' ' LEU . 9.4 mp -53.45 -43.61 68.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 109.349 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.734 HG21 HD11 ' A' ' 101' ' ' ILE . 0.4 OUTLIER -52.62 -31.9 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.269 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 151' ' ' MET . . . . . 0.9 ' HG3' HG11 ' A' ' 134' ' ' VAL . 40.5 mmm -60.82 -54.81 40.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 111.03 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 152' ' ' THR . . . . . 0.891 HG21 ' HB2' ' A' ' 177' ' ' PHE . 43.1 p -48.23 -40.58 24.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.419 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 153' ' ' MET . . . . . 0.772 ' SD ' ' O ' ' A' ' 153' ' ' MET . 0.0 OUTLIER -67.83 -27.8 67.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.968 ' C ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -58.82 -50.94 72.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 109.281 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 1.086 HD11 ' CE2' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -55.05 -55.56 29.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.986 ' HA ' HG22 ' A' ' 170' ' ' VAL . . . -60.49 -51.31 70.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 156' ' ' ALA . 4.8 tmtt? -37.61 -42.93 0.58 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 158' ' ' LYS . . . . . 0.958 ' O ' ' N ' ' A' ' 163' ' ' ALA . 21.9 mmmt -81.3 -63.89 1.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 159' ' ' VAL . . . . . 1.108 HG13 ' CG2' ' A' ' 170' ' ' VAL . 2.4 p -84.58 155.07 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.247 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 1.091 ' CB ' HG11 ' A' ' 170' ' ' VAL . . . 65.46 34.76 7.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 165.36 -13.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.024 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 162' ' ' HIS . . . . . 0.629 ' CB ' ' O ' ' A' ' 158' ' ' LYS . 0.2 OUTLIER -152.69 -39.58 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.569 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 0.958 ' N ' ' O ' ' A' ' 158' ' ' LYS . . . -110.12 98.18 33.73 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 164' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' A' ' 162' ' ' HIS . 18.4 Cg_endo -74.99 99.55 1.27 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.512 1.796 . . . . 0.0 110.992 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 165' ' ' SER . . . . . 0.464 ' O ' HD22 ' A' ' 166' ' ' LEU . 1.2 m -141.77 -76.32 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.039 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.779 HD12 ' HB2' ' A' ' 168' ' ' ARG . 0.2 OUTLIER -143.57 91.86 2.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 167' ' ' LEU . . . . . 0.873 ' HB2' HD21 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -55.03 -23.18 18.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 168' ' ' ARG . . . . . 0.779 ' HB2' HD12 ' A' ' 166' ' ' LEU . 0.0 OUTLIER -58.84 -67.86 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 169' ' ' ASP . . . . . 0.473 ' O ' ' OG1' ' A' ' 173' ' ' THR . 21.7 t70 -54.33 -34.61 61.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 170' ' ' VAL . . . . . 1.108 ' CG2' HG13 ' A' ' 159' ' ' VAL . 0.4 OUTLIER -49.47 -53.55 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 171' ' ' PHE . . . . . 1.157 ' CD2' ' HB2' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -60.07 -48.64 80.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.148 . . . . 0.0 111.005 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 172' ' ' HIS . . . . . 0.672 ' O ' ' CB ' ' A' ' 176' ' ' ASN . 0.5 OUTLIER -53.17 -37.32 61.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.568 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 173' ' ' THR . . . . . 1.067 HG21 ' CB ' ' A' ' 155' ' ' LEU . 2.9 m -53.6 -51.11 64.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 110.421 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 174' ' ' THR . . . . . 0.7 ' HA ' ' HB ' ' A' ' 152' ' ' THR . 28.3 p -57.25 -68.62 0.21 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 0.0 110.395 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 175' ' ' VAL . . . . . 1.127 HG21 HG22 ' A' ' 21' ' ' VAL . 55.7 t -74.92 15.03 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 176' ' ' ASN . . . . . 0.719 ' ND2' ' CD1' ' A' ' 177' ' ' PHE . 0.1 OUTLIER -77.13 -56.68 4.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 177' ' ' PHE . . . . . 0.891 ' HB2' HG21 ' A' ' 152' ' ' THR . 5.2 m-30 -63.33 -53.84 46.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.433 1.083 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 178' ' ' ILE . . . . . 0.99 HD11 HD21 ' A' ' 90' ' ' LEU . 3.2 mt -51.06 -50.31 25.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 179' ' ' ASN . . . . . 0.418 ' N ' HG21 ' A' ' 17' ' ' THR . 12.0 t-20 -58.41 -39.65 80.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 180' ' ' GLN . . . . . 0.436 ' HG3' ' NH1' ' A' ' 124' ' ' ARG . 0.0 OUTLIER -93.76 0.25 56.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.295 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.791 ' N ' ' O ' ' A' ' 177' ' ' PHE . 5.5 t-20 -98.07 -148.49 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 182' ' ' LEU . . . . . 0.834 HD13 ' N ' ' A' ' 182' ' ' LEU . 0.0 OUTLIER -96.24 49.19 1.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.336 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 183' ' ' PHE . . . . . 1.171 ' CE1' HG21 ' A' ' 16' ' ' ILE . 0.0 OUTLIER 24.58 97.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.087 . . . . 0.0 110.991 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 184' ' ' SER . . . . . 0.44 ' CB ' ' HB2' ' A' ' 187' ' ' ARG . 3.5 m 65.23 90.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.043 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 185' ' ' TYR . . . . . 0.627 ' CE1' ' OD2' ' A' ' 145' ' ' ASP . 0.1 OUTLIER -41.71 -56.05 2.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 186' ' ' VAL . . . . . . . . . . . . . 18.3 t -47.75 -38.19 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.503 ' O ' HG22 ' A' ' 190' ' ' VAL . 0.0 OUTLIER -54.12 -45.11 71.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.334 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 188' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -63.8 -44.03 94.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.9 -53.73 53.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 190' ' ' VAL . . . . . 0.503 HG22 ' O ' ' A' ' 187' ' ' ARG . 28.0 m -60.94 -43.35 95.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 3.3 ttt-85 -54.86 -46.05 74.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.248 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -58.08 -48.27 80.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.03 147.17 43.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 194' ' ' MET . . . . . . . . . . . . . 12.0 ttp 69.1 141.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.981 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 ppp? . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.533 0.206 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -177.97 150.52 0.62 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.5 p -132.56 98.22 4.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.039 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -132.15 144.96 51.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 110.303 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.442 ' O ' HG13 ' A' ' 5' ' ' VAL . 14.7 p -129.74 115.9 35.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.5 m -168.35 143.7 3.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.018 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -174.99 122.42 0.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -153.07 -170.74 19.67 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.483 1.114 . . . . 0.0 111.038 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.8 m -135.79 -176.19 4.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.746 . . . . 0.0 109.986 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -145.79 117.5 0.99 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.509 1.131 . . . . 0.0 110.966 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -171.57 105.47 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 132.44 -100.21 0.41 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -170.03 -44.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 0.759 . . . . 0.0 109.299 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.46 ' CG ' ' HB2' ' A' ' 183' ' ' PHE . 1.7 mptp? -108.06 26.52 10.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -60.55 -44.98 95.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.61 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.735 HG12 HG21 ' A' ' 83' ' ' ILE . 5.1 tp -53.58 -32.34 20.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . 1.021 HG22 HG13 ' A' ' 175' ' ' VAL . 3.3 m -52.75 -39.47 62.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.392 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -50.52 -44.12 56.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 23' ' ' GLY . 4.2 mm? -64.8 -30.62 71.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.139 ' CD1' HD22 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -59.46 -49.13 78.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.88 ' H ' HG21 ' A' ' 175' ' ' VAL . 0.4 OUTLIER -54.94 -58.28 4.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.793 ' CD2' ' HA3' ' A' ' 39' ' ' GLY . 5.1 t80 -61.62 -29.76 70.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.978 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -75.68 -35.43 46.17 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 1.236 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 7.3 t80 -52.58 -58.71 5.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 0.748 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.931 HD22 ' CE1' ' A' ' 171' ' ' PHE . 0.3 OUTLIER -58.5 -41.05 84.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.256 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.804 ' HB2' HD12 ' A' ' 35' ' ' LEU . 1.6 tt0 -54.45 -34.05 60.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.575 ' CB ' ' O ' ' A' ' 88' ' ' ARG . 3.4 t -70.68 -99.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.975 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.425 ' N ' ' OG ' ' A' ' 27' ' ' SER . 10.2 t -136.41 19.37 3.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 110.049 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.646 ' CA ' ' HB1' ' A' ' 91' ' ' ALA . . . -57.33 -99.54 0.01 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.525 1.141 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.659 ' SG ' ' HB1' ' A' ' 160' ' ' ALA . 0.9 OUTLIER -97.94 -96.3 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.515 ' O ' ' N ' ' A' ' 34' ' ' GLU . 9.2 p -146.54 153.03 39.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.371 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.35 -53.63 4.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 110.335 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.866 ' O ' HG23 ' A' ' 37' ' ' VAL . 35.5 tt0 -58.72 -27.83 65.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.713 ' C ' HD23 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -66.28 -56.76 9.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 110.326 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 1.062 HD23 ' N ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -47.56 -32.31 5.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 1.062 ' N ' HD23 ' A' ' 35' ' ' LEU . 1.1 tp10 -69.95 -46.92 64.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.866 HG23 ' O ' ' A' ' 33' ' ' GLN . 2.2 t -64.38 -57.85 9.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.072 ' HB2' ' CD2' ' A' ' 171' ' ' PHE . 5.2 mt -67.4 -40.42 85.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.793 ' HA3' ' CD2' ' A' ' 22' ' ' PHE . . . -47.94 -54.05 12.79 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.556 ' HG3' ' O ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -56.86 74.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.77 . . . . 0.0 110.32 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.615 ' N ' ' O ' ' A' ' 39' ' ' GLY . 0.3 OUTLIER -119.37 119.74 34.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.335 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -100.5 106.67 44.27 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.496 ' O ' ' C ' ' A' ' 44' ' ' VAL . 18.5 Cg_endo -74.95 -35.4 3.21 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.478 1.778 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.769 HG13 ' N ' ' A' ' 45' ' ' GLN . 2.1 p 33.2 -150.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.143 . . . . 0.0 109.332 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.769 ' N ' HG13 ' A' ' 44' ' ' VAL . 0.8 OUTLIER 156.64 164.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.28 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 47' ' ' TYR . . . -155.41 106.45 2.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.562 ' O ' ' CB ' ' A' ' 48' ' ' TRP . 40.9 t80 -34.53 134.07 0.23 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 111.008 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.562 ' CB ' ' O ' ' A' ' 47' ' ' TYR . 1.0 OUTLIER 156.18 127.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 107.956 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 50' ' ' ALA . 6.5 tt0 -152.87 84.99 1.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 110.242 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -36.46 115.72 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.474 ' O ' ' C ' ' A' ' 52' ' ' LEU . 0.5 OUTLIER -72.96 111.97 8.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.474 ' C ' ' O ' ' A' ' 51' ' ' ASP . 4.3 mm? -34.33 145.4 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -161.02 167.38 26.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.297 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.77 165.38 0.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -70.02 95.13 0.92 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 71.78 -68.16 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 76.2 -58.65 0.53 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 110.287 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.2 t -153.49 149.52 27.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.388 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -99.24 113.5 25.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' A' ' 62' ' ' GLN . . . -111.32 63.73 0.27 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.532 1.145 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.4 m 69.8 -63.13 0.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 0.772 . . . . 0.0 109.979 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 60' ' ' GLY . 0.9 OUTLIER -175.97 115.81 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.319 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -166.87 167.91 14.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.8 t 64.81 120.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.969 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 66' ' ' SER . 3.0 ptt-85 -151.38 127.68 10.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 110.269 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 65' ' ' ARG . 88.1 p -36.42 149.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.036 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.441 ' HD2' ' HB2' ' A' ' 50' ' ' ALA . 0.7 OUTLIER -143.84 171.46 14.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.097 . . . . 0.0 110.986 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -90.88 150.42 21.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -156.75 161.03 39.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 147.17 119.63 1.15 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.17 151.04 32.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 0.0 110.319 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.433 HG23 ' HE2' ' A' ' 14' ' ' LYS . 15.9 tt -170.54 114.81 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.9 101.85 3.9 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -61.62 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.497 1.788 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 175.36 -57.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.1 m -39.33 122.72 1.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.005 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -167.71 140.26 3.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.59 169.73 7.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.996 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -141.39 134.94 29.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 110.307 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.485 ' H ' HD12 ' A' ' 83' ' ' ILE . 0.3 OUTLIER -158.99 -159.47 0.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -108.55 -18.73 13.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 110.334 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.3 mt -73.23 -36.95 51.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.759 ' O ' HG22 ' A' ' 86' ' ' ILE . 48.7 mt -52.07 -43.6 37.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.573 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 37.9 m80 -63.0 -33.38 75.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.581 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.43 ' HA ' ' NH2' ' A' ' 88' ' ' ARG . 1.5 t-20 -59.0 -53.18 61.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.759 HG22 ' O ' ' A' ' 83' ' ' ILE . 7.0 tp -62.15 -31.31 51.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.968 ' HB1' ' HA ' ' A' ' 20' ' ' LEU . . . -54.05 -48.56 70.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.575 ' O ' ' CB ' ' A' ' 27' ' ' SER . 2.6 mtm105 -64.6 -49.19 72.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.335 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 1.111 ' O ' HG23 ' A' ' 93' ' ' ILE . 16.4 t-80 -51.69 -19.87 1.8 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.583 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 1.139 HD22 ' CD1' ' A' ' 20' ' ' LEU . 1.4 tp -54.08 -66.73 0.34 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 1.236 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -56.96 -41.9 79.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.2 -43.5 67.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.331 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 1.111 HG23 ' O ' ' A' ' 89' ' ' HIS . 1.4 pt -69.04 -27.36 35.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.433 ' N ' HG13 ' A' ' 93' ' ' ILE . . . -60.32 -56.48 24.25 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.514 1.134 . . . . 0.0 111.022 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -67.02 -49.77 64.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 0.781 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.484 ' HG3' ' N ' ' A' ' 97' ' ' MET . 0.4 OUTLIER -57.26 -40.35 77.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 110.283 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.928 ' HB3' HD12 ' A' ' 101' ' ' ILE . 1.6 mmt -55.11 -50.11 70.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -40.48 -28.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.443 ' N ' ' C ' ' A' ' 97' ' ' MET . 15.1 t60 -55.07 -47.13 75.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.605 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.457 ' N ' ' O ' ' A' ' 97' ' ' MET . 0.7 OUTLIER -145.04 86.6 1.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.928 HD12 ' HB3' ' A' ' 97' ' ' MET . 0.1 OUTLIER -141.87 102.71 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.956 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 4.1 tm0? 162.09 47.64 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.956 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.2 Cg_endo -75.01 -15.36 20.76 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.446 1.761 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.75 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 1.5 m -161.92 8.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.39 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.75 ' HB2' ' O ' ' A' ' 104' ' ' THR . 0.2 OUTLIER 99.85 39.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.113 . . . . 0.0 109.288 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 1.106 HG12 ' CE2' ' A' ' 138' ' ' PHE . 4.6 m -57.25 -75.05 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.94 ' H ' HG23 ' A' ' 106' ' ' VAL . 42.1 ptt85 -44.68 -45.9 9.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.665 ' O ' ' HB3' ' A' ' 112' ' ' GLN . 1.4 tt0 -68.09 -30.05 69.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.835 ' C ' HD13 ' A' ' 109' ' ' LEU . 0.9 OUTLIER -65.58 -73.16 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 1.104 ' O ' ' CD2' ' A' ' 113' ' ' PHE . . . -53.91 -48.41 70.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.733 ' HB3' ' O ' ' A' ' 107' ' ' ARG . . . -63.3 -15.97 58.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.672 ' CG ' ' O ' ' A' ' 109' ' ' LEU . 1.9 pt20 -59.06 -49.98 75.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 1.104 ' CD2' ' O ' ' A' ' 110' ' ' ALA . 11.9 p90 -67.42 -46.83 72.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 111.03 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.806 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 1.6 ptt? -50.91 118.63 3.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 116' ' ' GLY . 5.3 t-20 -145.33 -163.94 1.83 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 109.275 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 115' ' ' ASN . . . 35.18 -139.55 0.2 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.504 1.127 . . . . 0.0 110.971 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.461 ' O ' ' HB3' ' A' ' 118' ' ' LEU . 4.0 m -155.2 72.92 0.84 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.775 . . . . 0.0 109.973 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.575 ' O ' HD23 ' A' ' 118' ' ' LEU . 0.0 OUTLIER 73.6 91.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 109.276 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.94 139.59 41.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.012 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 62.74 27.49 16.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.302 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.402 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 0.1 OUTLIER 60.84 76.53 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 110.35 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.402 ' CB ' ' O ' ' A' ' 121' ' ' GLU . 15.8 t0 75.01 108.62 0.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.517 ' CG ' ' HB2' ' A' ' 126' ' ' CYS . 4.0 ptpp? -65.54 -60.16 3.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.691 ' HA ' HD11 ' A' ' 127' ' ' LEU . 3.5 mtp180 71.45 -50.34 0.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.347 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.482 ' O ' ' N ' ' A' ' 129' ' ' LYS . 12.0 p-10 -67.0 -38.61 86.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.546 ' HB3' ' CD1' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -52.96 -56.06 18.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 108.279 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.864 HD12 ' ND2' ' A' ' 176' ' ' ASN . 0.0 OUTLIER -53.84 -63.33 1.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.55 ' HB1' ' CD ' ' A' ' 180' ' ' GLN . . . -50.2 -34.09 21.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 125' ' ' ASN . 0.0 OUTLIER -58.27 -29.51 65.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.983 ' O ' HG12 ' A' ' 134' ' ' VAL . . . -72.75 -41.27 65.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 1.011 HD12 ' CD2' ' A' ' 177' ' ' PHE . 0.1 OUTLIER -42.92 -50.23 5.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.825 ' O ' HG23 ' A' ' 136' ' ' THR . 6.4 m-20 -69.83 -42.49 73.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.796 ' HB3' HD11 ' A' ' 109' ' ' LEU . 3.6 mm-40 -57.31 -60.82 3.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 1.039 HG23 ' CE2' ' A' ' 138' ' ' PHE . 0.1 OUTLIER -57.0 -33.42 42.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' A' ' 135' ' ' LYS . 9.8 ttpt -81.16 2.5 27.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.825 HG23 ' O ' ' A' ' 132' ' ' ASP . 2.8 p -117.42 -16.44 10.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 110.431 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.726 ' HB3' ' CD1' ' A' ' 138' ' ' PHE . . . -104.07 -53.14 2.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 1.106 ' CE2' HG12 ' A' ' 106' ' ' VAL . 0.1 OUTLIER -124.87 62.71 36.66 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.712 ' C ' ' HB2' ' A' ' 144' ' ' ASN . 18.2 Cg_endo -75.04 158.66 41.91 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.495 1.787 . . . . 0.0 110.958 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.769 ' N ' ' CB ' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 163.34 -167.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.268 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 141' ' ' ASP . . . . . 0.625 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 1.7 m-20 -85.09 -105.08 0.05 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' MET . . . . . 0.456 ' HA ' ' OH ' ' A' ' 185' ' ' TYR . 4.5 mtp -66.31 -31.88 72.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -65.08 -61.92 1.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' ASN . . . . . 0.769 ' CB ' ' N ' ' A' ' 140' ' ' ARG . 1.8 t30 -67.05 -56.41 10.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.717 ' O ' HD12 ' A' ' 149' ' ' LEU . 95.2 m-20 -38.45 -55.17 1.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.44 ' HB2' ' HH ' ' A' ' 185' ' ' TYR . 12.6 ttpt -66.1 -31.91 73.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.161 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.738 ' O ' ' CG1' ' A' ' 150' ' ' ILE . . . -61.66 -46.88 87.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 148' ' ' MET . . . . . 0.897 ' HA ' ' HG2' ' A' ' 151' ' ' MET . 20.0 mtm -58.79 -45.56 89.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.772 ' O ' HG22 ' A' ' 152' ' ' THR . 1.4 mp -58.94 -53.21 60.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.738 ' CG1' ' O ' ' A' ' 147' ' ' ALA . 36.3 pt -51.58 -24.46 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 151' ' ' MET . . . . . 0.897 ' HG2' ' HA ' ' A' ' 148' ' ' MET . 0.1 OUTLIER -55.57 -56.93 14.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 111.018 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 152' ' ' THR . . . . . 1.282 ' HG1' ' C ' ' A' ' 173' ' ' THR . 1.0 OUTLIER -60.91 -47.26 87.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.453 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 153' ' ' MET . . . . . 0.72 ' CE ' HD11 ' A' ' 93' ' ' ILE . 14.0 mtt -59.2 -28.62 66.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 111.03 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.953 ' C ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -58.6 -51.54 69.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 1.138 ' O ' HG23 ' A' ' 159' ' ' VAL . 5.0 mp -51.4 -60.03 3.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.252 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.826 ' HA ' HG22 ' A' ' 170' ' ' VAL . . . -54.63 -56.69 16.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.741 ' HA ' ' CB ' ' A' ' 161' ' ' SER . 1.3 tmtt? -46.64 -44.7 18.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 158' ' ' LYS . . . . . 0.607 ' O ' ' CB ' ' A' ' 162' ' ' HIS . 5.8 mptt -81.25 -43.67 18.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 159' ' ' VAL . . . . . 1.138 HG23 ' O ' ' A' ' 155' ' ' LEU . 15.5 t -72.42 -127.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.659 ' HB1' ' SG ' ' A' ' 30' ' ' CYS . . . -27.3 -61.99 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.256 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 161' ' ' SER . . . . . 0.741 ' CB ' ' HA ' ' A' ' 157' ' ' LYS . 0.3 OUTLIER -51.23 -11.54 0.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.166 . . . . 0.0 109.978 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 162' ' ' HIS . . . . . 0.966 ' N ' ' O ' ' A' ' 159' ' ' VAL . 0.2 OUTLIER -151.75 -51.64 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.636 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 1.075 ' HB3' ' HA ' ' A' ' 159' ' ' VAL . . . -106.31 101.49 35.28 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 164' ' ' PRO . . . . . 0.435 ' HD3' ' O ' ' A' ' 162' ' ' HIS . 18.5 Cg_endo -74.98 46.52 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.472 1.775 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 3.1 m -97.66 -15.43 20.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.043 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.578 ' HB3' ' HB2' ' A' ' 169' ' ' ASP . 2.2 mp -144.01 117.01 8.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 167' ' ' LEU . . . . . 0.867 ' C ' HD22 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -95.12 -81.71 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 168' ' ' ARG . . . . . 0.65 ' N ' HD22 ' A' ' 38' ' ' LEU . 21.7 ptt180 -53.89 -40.77 66.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 0.0 110.325 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 169' ' ' ASP . . . . . 0.578 ' HB2' ' HB3' ' A' ' 166' ' ' LEU . 0.0 OUTLIER -60.2 -44.3 95.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 170' ' ' VAL . . . . . 0.826 HG22 ' HA ' ' A' ' 156' ' ' ALA . 1.2 t -52.53 -58.81 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 171' ' ' PHE . . . . . 1.072 ' CD2' ' HB2' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -51.87 -53.32 41.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.434 1.084 . . . . 0.0 111.007 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 172' ' ' HIS . . . . . 0.654 ' O ' ' CB ' ' A' ' 176' ' ' ASN . 0.5 OUTLIER -51.06 -36.71 41.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.552 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 173' ' ' THR . . . . . 1.282 ' C ' ' HG1' ' A' ' 152' ' ' THR . 2.8 m -51.12 -57.69 8.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.413 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 174' ' ' THR . . . . . 0.763 ' N ' ' OG1' ' A' ' 152' ' ' THR . 24.9 p -53.15 -65.95 0.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.398 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 175' ' ' VAL . . . . . 1.021 HG13 HG22 ' A' ' 17' ' ' THR . 20.8 t -68.51 1.89 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 176' ' ' ASN . . . . . 0.864 ' ND2' HD12 ' A' ' 127' ' ' LEU . 0.0 OUTLIER -80.35 -59.4 2.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 177' ' ' PHE . . . . . 1.011 ' CD2' HD12 ' A' ' 131' ' ' LEU . 0.5 OUTLIER -57.51 -45.5 84.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 178' ' ' ILE . . . . . 0.889 HD11 HD21 ' A' ' 90' ' ' LEU . 7.7 mt -53.76 -56.8 7.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 179' ' ' ASN . . . . . 0.551 ' OD1' ' C ' ' A' ' 179' ' ' ASN . 0.7 OUTLIER -60.32 -36.48 78.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 180' ' ' GLN . . . . . 0.55 ' CD ' ' HB1' ' A' ' 128' ' ' ALA . 4.0 mm-40 -81.27 -13.72 58.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.686 ' N ' ' O ' ' A' ' 177' ' ' PHE . 36.3 t30 -102.4 -151.2 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 182' ' ' LEU . . . . . 0.561 ' H ' ' CG ' ' A' ' 181' ' ' ASN . 0.0 OUTLIER -94.29 52.71 1.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 183' ' ' PHE . . . . . 0.616 ' CZ ' HG21 ' A' ' 16' ' ' ILE . 0.4 OUTLIER 21.37 -89.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 184' ' ' SER . . . . . 0.611 ' N ' ' CG ' ' A' ' 183' ' ' PHE . 4.4 m -69.6 110.63 4.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.963 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 185' ' ' TYR . . . . . 0.601 ' CG ' ' N ' ' A' ' 186' ' ' VAL . 0.5 OUTLIER -93.88 -92.4 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 111.05 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 186' ' ' VAL . . . . . 0.601 ' N ' ' CG ' ' A' ' 185' ' ' TYR . 8.9 p -52.65 -47.18 50.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.56 HH21 ' HA ' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -51.82 -42.5 62.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 188' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 184' ' ' SER . 0.5 OUTLIER -58.68 -51.18 71.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.314 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.494 ' O ' ' OD1' ' A' ' 192' ' ' ASN . 0.8 OUTLIER -56.88 -44.79 82.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 72.4 t -61.33 -42.36 93.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 1.1 ttp85 -54.23 -55.35 28.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.352 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 192' ' ' ASN . . . . . 0.535 ' C ' ' ND2' ' A' ' 192' ' ' ASN . 0.3 OUTLIER -63.65 -43.24 97.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 193' ' ' GLU . . . . . 0.49 ' N ' ' CG ' ' A' ' 192' ' ' ASN . 0.4 OUTLIER -120.32 99.75 6.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 110.311 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 194' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -68.0 84.04 0.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 111.016 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 109.324 -179.981 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.553 0.216 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -151.56 -61.0 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.087 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 68.53 171.76 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 110.04 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -163.9 87.21 0.5 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.317 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 5' ' ' VAL . 9.2 p -170.8 49.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 p -164.73 123.99 1.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.048 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -150.01 105.57 3.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -38.71 110.29 0.13 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.424 1.078 . . . . 0.0 110.992 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.453 ' HB3' ' CD2' ' A' ' 15' ' ' HIS . 4.4 m -139.43 128.09 23.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 0.0 110.022 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -162.03 35.26 0.36 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.472 1.108 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.01 -176.39 2.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 0.764 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.482 ' O ' ' HB2' ' A' ' 13' ' ' ALA . . . 61.97 -91.43 0.07 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.482 ' HB2' ' O ' ' A' ' 12' ' ' GLY . . . 175.93 -62.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.766 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -99.54 50.04 0.93 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.275 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.453 ' CD2' ' HB3' ' A' ' 9' ' ' SER . 0.4 OUTLIER -62.2 -49.9 73.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.607 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.609 HG21 HG21 ' A' ' 83' ' ' ILE . 0.9 OUTLIER -54.67 -35.61 33.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.755 HG21 ' N ' ' A' ' 179' ' ' ASN . 8.9 m -55.57 -62.74 1.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.394 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.44 ' O ' HG12 ' A' ' 21' ' ' VAL . 52.9 t0 -46.0 -35.61 4.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.874 HD22 ' CD2' ' A' ' 84' ' ' HIS . 0.2 OUTLIER -63.15 -32.38 73.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.107 ' CD2' HD22 ' A' ' 90' ' ' LEU . 0.9 OUTLIER -63.26 -62.6 1.59 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 1.051 HG21 ' O ' ' A' ' 171' ' ' PHE . 2.9 p -56.89 -56.77 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 1.014 ' CD1' HD12 ' A' ' 35' ' ' LEU . 0.7 OUTLIER -56.9 -40.77 76.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.962 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -74.88 -32.83 56.44 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.469 1.106 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 1.214 ' CE2' ' HA ' ' A' ' 91' ' ' ALA . 0.3 OUTLIER -56.91 -54.3 48.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 0.77 . . . . 0.0 111.007 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.931 ' HB2' ' CZ ' ' A' ' 171' ' ' PHE . 0.6 OUTLIER -55.87 -43.98 77.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.354 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.828 ' HB2' HD13 ' A' ' 35' ' ' LEU . 12.4 tm0? -61.25 -32.66 72.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.277 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.575 ' HB3' ' HB3' ' A' ' 91' ' ' ALA . 35.9 t -63.59 -88.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.964 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.0 t -143.64 29.44 1.39 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 110.008 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.462 ' HA3' ' CE1' ' A' ' 24' ' ' PHE . . . -78.67 -137.63 1.29 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.542 1.151 . . . . 0.0 111.012 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.456 ' H ' ' CD1' ' A' ' 25' ' ' LEU . 30.0 t -55.0 -98.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.487 ' O ' ' N ' ' A' ' 34' ' ' GLU . 99.6 m -142.47 152.78 43.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 110.415 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 1.045 ' O ' HD23 ' A' ' 35' ' ' LEU . 2.6 tmm_? -42.18 -59.14 1.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.343 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.498 ' O ' ' HB ' ' A' ' 37' ' ' VAL . 14.6 tt0 -53.32 -26.33 18.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.266 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.657 ' C ' HD23 ' A' ' 25' ' ' LEU . 3.2 tp10 -67.69 -52.73 34.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 1.045 HD23 ' O ' ' A' ' 32' ' ' ARG . 0.1 OUTLIER -44.71 -43.6 8.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.631 ' N ' ' HG ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -78.92 -31.69 45.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.649 ' CG1' ' N ' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -61.47 -59.45 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.996 ' CD1' HD23 ' A' ' 167' ' ' LEU . 0.1 OUTLIER -81.97 -39.36 23.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.64 ' HA3' ' O ' ' A' ' 35' ' ' LEU . . . -49.24 -52.54 22.62 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.638 ' O ' ' CG ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -54.9 92.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 0.784 . . . . 0.0 110.346 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.748 ' HB2' HH21 ' A' ' 168' ' ' ARG . 13.6 pt-20 -141.46 141.3 33.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.415 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 3.1 mm? -99.75 133.39 21.79 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 42' ' ' LEU . 18.2 Cg_endo -74.96 85.02 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.503 1.791 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 43' ' ' PRO . 15.9 t -39.91 -46.24 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 69.72 -173.31 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.462 ' O ' ' C ' ' A' ' 47' ' ' TYR . . . 54.92 65.57 1.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.324 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.506 ' O ' ' C ' ' A' ' 48' ' ' TRP . 5.9 t80 -32.83 137.63 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 111.054 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.506 ' C ' ' O ' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -34.95 143.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 108.001 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 50' ' ' ALA . 2.7 pt-20 -106.67 110.0 22.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -36.95 153.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.475 ' O ' ' C ' ' A' ' 52' ' ' LEU . 4.8 p-10 -151.96 -50.38 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.475 ' C ' ' O ' ' A' ' 51' ' ' ASP . 0.3 OUTLIER -34.81 140.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -174.77 137.59 0.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.295 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -152.03 148.94 28.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -165.05 96.55 0.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.288 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.47 149.41 51.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -124.38 67.73 1.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.0 t -152.99 144.53 23.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 110.4 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 58.52 -174.26 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -61.3 136.23 47.89 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.4 p 177.22 -48.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 0.777 . . . . 0.0 109.99 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -54.08 -176.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.735 ' HA ' HH21 ' A' ' 65' ' ' ARG . . . 53.39 -172.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.3 104.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.978 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.735 HH21 ' HA ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -99.5 172.53 7.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 65' ' ' ARG . 2.2 m 157.39 125.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.986 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -157.36 172.31 18.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -126.88 159.32 34.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -109.23 -76.91 0.6 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.325 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 102.64 168.07 26.44 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.481 1.113 . . . . 0.0 111.027 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -149.07 108.32 3.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 0.793 . . . . 0.0 110.319 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.8 pt -90.43 171.15 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -134.86 136.63 25.56 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.315 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -177.57 3.55 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.502 1.79 . . . . 0.0 110.985 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -63.52 -174.85 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.1 -52.12 0.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.143 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 176.36 -43.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.263 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 68.23 133.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 110.014 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 177.26 179.54 0.24 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 110.273 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.597 ' HB3' ' CE1' ' A' ' 84' ' ' HIS . 4.3 mp0 -141.48 -141.27 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.528 ' CB ' ' O ' ' A' ' 80' ' ' GLU . 0.8 OUTLIER 88.91 -66.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 110.285 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.3 pt -98.11 -29.48 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.353 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.609 HG21 HG21 ' A' ' 16' ' ' ILE . 14.5 mm -52.14 -41.86 34.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.874 ' CD2' HD22 ' A' ' 19' ' ' LEU . 41.0 m80 -61.35 -43.33 99.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.605 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.467 ' O ' ' CG ' ' A' ' 88' ' ' ARG . 16.7 t-20 -58.9 -49.74 76.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.989 HG12 HG21 ' A' ' 186' ' ' VAL . 1.0 OUTLIER -63.37 -29.09 46.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.798 ' HA ' HD23 ' A' ' 20' ' ' LEU . . . -57.52 -56.43 21.96 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.525 1.141 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.467 ' CG ' ' O ' ' A' ' 85' ' ' ASN . 2.8 ptp180 -63.53 -36.32 83.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.555 ' CE1' HG13 ' A' ' 93' ' ' ILE . 3.5 t60 -61.18 -22.21 64.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.575 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 1.107 HD22 ' CD2' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -58.22 -60.65 3.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 1.214 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . . . -54.37 -55.47 28.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.581 1.175 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -52.08 -31.37 30.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.555 HG13 ' CE1' ' A' ' 89' ' ' HIS . 5.1 mt -69.12 -36.98 75.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -59.47 -51.55 58.43 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -54.12 -53.32 54.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 0.737 . . . . 0.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.469 ' CG ' ' HA ' ' A' ' 93' ' ' ILE . 12.6 pt-20 -64.97 -35.09 80.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.701 ' SD ' HG23 ' A' ' 150' ' ' ILE . 6.7 ttm -46.77 -50.64 17.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.958 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.586 ' HB2' ' HZ3' ' A' ' 157' ' ' LYS . 0.5 OUTLIER -40.79 -28.59 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.459 ' N ' ' C ' ' A' ' 97' ' ' MET . 12.9 t-160 -53.05 -43.57 66.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.587 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.472 ' N ' ' O ' ' A' ' 97' ' ' MET . 15.3 m-80 -144.3 87.48 1.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.819 HG23 ' CB ' ' A' ' 107' ' ' ARG . 1.0 OUTLIER -125.13 82.65 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.932 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 0.0 OUTLIER 153.67 52.02 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.932 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.1 Cg_endo -75.04 10.24 1.79 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.51 1.795 . . . . 0.0 110.955 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.752 HG22 ' C ' ' A' ' 103' ' ' PRO . 0.0 OUTLIER 159.62 3.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.431 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.727 HD23 ' O ' ' A' ' 105' ' ' LEU . 3.1 tt 106.58 26.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 1.009 HG22 ' CD2' ' A' ' 138' ' ' PHE . 1.0 OUTLIER -62.91 -63.51 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.819 ' CB ' HG23 ' A' ' 101' ' ' ILE . 0.0 OUTLIER -52.63 -41.98 64.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 110.3 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.606 ' O ' ' HB3' ' A' ' 112' ' ' GLN . 0.0 OUTLIER -61.83 -29.98 70.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.874 ' C ' HD13 ' A' ' 109' ' ' LEU . 0.7 OUTLIER -62.03 -73.85 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 1.131 ' O ' ' CD2' ' A' ' 113' ' ' PHE . . . -55.03 -47.83 74.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.595 ' O ' ' CG ' ' A' ' 114' ' ' MET . . . -61.84 -13.79 27.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.747 ' HG2' ' N ' ' A' ' 113' ' ' PHE . 1.4 pt20 -62.12 -47.4 84.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 110.324 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 1.131 ' CD2' ' O ' ' A' ' 110' ' ' ALA . 7.7 p90 -66.41 -42.41 87.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.848 ' HG3' ' O ' ' A' ' 114' ' ' MET . 0.0 OUTLIER -50.61 83.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 110.997 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.567 ' N ' ' O ' ' A' ' 113' ' ' PHE . 6.0 t30 -141.76 41.09 1.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -136.99 -163.73 9.84 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.532 1.145 . . . . 0.0 111.021 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.824 ' HA ' HD11 ' A' ' 166' ' ' LEU . 0.2 OUTLIER -156.8 30.17 0.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 0.779 . . . . 0.0 109.972 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.7 HD12 ' C ' ' A' ' 118' ' ' LEU . 0.2 OUTLIER 86.37 99.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.51 ' O ' ' CB ' ' A' ' 120' ' ' GLU . 0.7 OUTLIER -143.18 133.56 24.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.975 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.558 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 1.1 tp10 86.62 -33.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.083 . . . . 0.0 110.282 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.558 ' CB ' ' O ' ' A' ' 120' ' ' GLU . 1.7 mt-10 155.52 67.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 123' ' ' LYS . 1.8 m-20 54.11 78.75 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.858 ' O ' HD21 ' A' ' 127' ' ' LEU . 4.8 mtmt -35.69 101.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.759 ' HA ' HD11 ' A' ' 127' ' ' LEU . 0.0 OUTLIER -114.24 -14.99 12.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.324 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.443 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 76.5 m-20 -68.38 -43.27 77.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.461 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 7.8 m -53.37 -55.37 25.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 108.279 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 1.045 HD13 ' HA ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -52.43 -70.1 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -46.89 -33.52 4.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.461 ' HB2' ' O ' ' A' ' 126' ' ' CYS . 5.3 mttp -62.49 -24.22 67.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 1.108 ' O ' HG12 ' A' ' 134' ' ' VAL . . . -75.16 -39.53 60.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.761 ' N ' ' CZ ' ' A' ' 177' ' ' PHE . 0.1 OUTLIER -49.08 -47.23 45.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.821 ' O ' HG23 ' A' ' 136' ' ' THR . 0.0 OUTLIER -71.07 -41.38 70.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.652 ' HB3' HD11 ' A' ' 109' ' ' LEU . 0.1 OUTLIER -67.52 -59.6 3.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.1 . . . . 0.0 110.345 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 1.108 HG12 ' O ' ' A' ' 130' ' ' ALA . 6.4 p -48.8 -35.56 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.635 ' O ' ' CD ' ' A' ' 139' ' ' PRO . 8.8 ttpt -75.43 -62.16 1.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.821 HG23 ' O ' ' A' ' 132' ' ' ASP . 17.1 p -44.86 -25.21 0.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.417 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.539 ' C ' ' HD3' ' A' ' 139' ' ' PRO . . . -96.54 -43.84 7.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 1.009 ' CD2' HG22 ' A' ' 106' ' ' VAL . 0.1 OUTLIER -124.79 61.8 32.39 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 110.996 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.657 ' C ' ' HB2' ' A' ' 144' ' ' ASN . 18.4 Cg_endo -75.0 147.98 34.67 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.452 1.764 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.741 ' N ' ' CB ' ' A' ' 144' ' ' ASN . 0.1 OUTLIER 165.73 -170.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.284 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 141' ' ' ASP . . . . . 0.665 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 13.6 m-20 -88.39 -104.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' MET . . . . . 0.524 ' CG ' ' OH ' ' A' ' 185' ' ' TYR . 4.3 ttt -65.74 -32.07 73.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 21.4 mp0 -67.12 -62.67 1.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.262 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' ASN . . . . . 0.741 ' CB ' ' N ' ' A' ' 140' ' ' ARG . 1.5 t-20 -65.65 -58.95 4.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.665 ' CB ' ' O ' ' A' ' 141' ' ' ASP . 50.6 t0 -40.35 -52.4 2.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.532 ' O ' HD13 ' A' ' 150' ' ' ILE . 2.9 ttmt -68.29 -28.8 67.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.16 . . . . 0.0 109.268 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.583 ' N ' ' O ' ' A' ' 144' ' ' ASN . . . -62.58 -57.29 11.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' MET . . . . . 0.744 ' SD ' HD13 ' A' ' 131' ' ' LEU . 0.4 OUTLIER -54.06 -48.06 70.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 110.983 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.743 ' N ' ' HG3' ' A' ' 148' ' ' MET . 0.2 OUTLIER -55.06 -41.94 72.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.132 . . . . 0.0 109.327 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.701 HG23 ' SD ' ' A' ' 97' ' ' MET . 0.6 OUTLIER -56.32 -30.43 30.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.249 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 151' ' ' MET . . . . . 0.852 ' O ' HD12 ' A' ' 155' ' ' LEU . 2.5 mmm -61.8 -52.71 63.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 110.998 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 152' ' ' THR . . . . . 0.894 HG23 ' HA ' ' A' ' 174' ' ' THR . 0.6 OUTLIER -51.53 -53.98 32.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.44 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 153' ' ' MET . . . . . 0.518 ' N ' ' CG2' ' A' ' 152' ' ' THR . 0.3 OUTLIER -67.15 -24.77 65.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.947 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 1.074 ' C ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -56.71 -58.49 7.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 1.072 HD21 ' CZ ' ' A' ' 113' ' ' PHE . 5.1 mp -49.22 -47.12 46.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 1.08 ' O ' ' O ' ' A' ' 159' ' ' VAL . . . -64.48 -53.17 52.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.586 ' HZ3' ' HB2' ' A' ' 98' ' ' ASP . 0.0 OUTLIER -44.87 -45.68 10.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 158' ' ' LYS . . . . . 0.878 ' O ' ' N ' ' A' ' 163' ' ' ALA . 28.3 mmmt -80.45 -42.5 22.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 159' ' ' VAL . . . . . 1.08 ' O ' ' O ' ' A' ' 156' ' ' ALA . 61.7 t -108.47 148.7 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.783 ' HB3' ' O ' ' A' ' 159' ' ' VAL . . . 101.24 -53.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 161' ' ' SER . . . . . 0.432 ' OG ' ' O ' ' A' ' 29' ' ' GLY . 0.2 OUTLIER -117.4 -13.01 10.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 109.995 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 162' ' ' HIS . . . . . 0.564 ' HB3' ' O ' ' A' ' 158' ' ' LYS . 15.8 t-80 -121.94 -40.4 2.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.616 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 1.055 ' O ' HG13 ' A' ' 159' ' ' VAL . . . -130.12 91.5 39.01 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.346 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 51.68 2.85 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.54 1.811 . . . . 0.0 110.986 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 165' ' ' SER . . . . . 0.794 ' O ' HD12 ' A' ' 166' ' ' LEU . 10.8 m -109.21 -5.18 16.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.028 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.957 HD23 ' CB ' ' A' ' 169' ' ' ASP . 3.8 mp -141.99 128.29 19.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.259 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 167' ' ' LEU . . . . . 0.996 HD23 ' CD1' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -101.88 -94.88 0.29 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.341 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 168' ' ' ARG . . . . . 0.748 HH21 ' HB2' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -51.89 -33.1 35.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.341 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 169' ' ' ASP . . . . . 0.957 ' CB ' HD23 ' A' ' 166' ' ' LEU . 1.4 m-20 -65.59 -45.94 81.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.333 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 170' ' ' VAL . . . . . 0.764 ' CG2' HG12 ' A' ' 159' ' ' VAL . 0.4 OUTLIER -56.16 -57.02 10.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 171' ' ' PHE . . . . . 1.051 ' O ' HG21 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -64.26 -51.75 62.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 110.977 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 172' ' ' HIS . . . . . 0.47 ' CB ' ' O ' ' A' ' 168' ' ' ARG . 1.8 t60 -58.53 -25.11 62.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.59 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 173' ' ' THR . . . . . 1.045 ' HA ' HD13 ' A' ' 127' ' ' LEU . 1.2 m -68.43 -44.68 74.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.423 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 174' ' ' THR . . . . . 0.894 ' HA ' HG23 ' A' ' 152' ' ' THR . 0.2 OUTLIER -63.98 -67.7 0.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.448 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 175' ' ' VAL . . . . . 1.004 HG23 ' HB ' ' A' ' 21' ' ' VAL . 1.5 t -63.13 7.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 176' ' ' ASN . . . . . 0.78 ' HB3' ' O ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -73.4 -58.36 3.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 177' ' ' PHE . . . . . 0.798 ' CE2' ' HB2' ' A' ' 151' ' ' MET . 3.8 m-30 -60.8 -47.29 87.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 178' ' ' ILE . . . . . 0.842 HG23 ' O ' ' A' ' 182' ' ' LEU . 1.9 mt -61.88 -45.69 98.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 179' ' ' ASN . . . . . 0.755 ' N ' HG21 ' A' ' 17' ' ' THR . 4.6 t30 -56.04 -39.24 71.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 180' ' ' GLN . . . . . 0.484 ' HB3' ' O ' ' A' ' 177' ' ' PHE . 9.7 tp60 -50.48 -100.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 0.0 110.337 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.47 ' C ' HD13 ' A' ' 182' ' ' LEU . 18.7 t-20 -124.16 -2.9 8.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 182' ' ' LEU . . . . . 0.842 ' O ' HG23 ' A' ' 178' ' ' ILE . 0.2 OUTLIER -95.85 40.96 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.419 1.074 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 183' ' ' PHE . . . . . 0.535 ' CZ ' ' HB ' ' A' ' 16' ' ' ILE . 5.7 t80 -32.75 -35.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.975 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 184' ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' ' 182' ' ' LEU . 24.8 t -178.36 90.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.019 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 185' ' ' TYR . . . . . 0.602 ' CD1' ' OD2' ' A' ' 145' ' ' ASP . 0.4 OUTLIER -48.73 -56.28 9.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 111.019 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 186' ' ' VAL . . . . . 0.989 HG21 HG12 ' A' ' 86' ' ' ILE . 46.3 t -49.19 -43.96 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.44 ' O ' HG12 ' A' ' 190' ' ' VAL . 0.0 OUTLIER -53.99 -47.89 70.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 188' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -54.38 -43.08 71.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.64 ' O ' HD12 ' A' ' 189' ' ' LEU . 0.5 OUTLIER -57.16 -50.69 72.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 190' ' ' VAL . . . . . 0.44 HG12 ' O ' ' A' ' 187' ' ' ARG . 0.4 OUTLIER -54.88 -43.62 68.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -54.86 -47.49 74.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 32.7 m-20 -55.06 -45.7 75.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 193' ' ' GLU . . . . . 0.437 ' O ' ' CB ' ' A' ' 194' ' ' MET . 0.8 OUTLIER -162.87 154.21 17.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 110.303 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 194' ' ' MET . . . . . 0.437 ' CB ' ' O ' ' A' ' 193' ' ' GLU . 0.0 OUTLIER 76.82 144.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 3.7 p30 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.955 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.497 0.189 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 178.33 166.11 0.79 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.8 t -179.33 147.92 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.99 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -171.47 148.59 2.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.337 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.7 p -172.91 145.18 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.152 . . . . 0.0 109.297 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.7 m -112.44 155.44 24.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.021 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -83.11 134.19 35.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 109.308 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -103.06 -169.02 26.06 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.8 p -134.54 120.81 20.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 0.741 . . . . 0.0 110.013 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.481 ' O ' ' CB ' ' A' ' 11' ' ' LEU . . . -60.61 -114.64 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.571 1.17 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.481 ' CB ' ' O ' ' A' ' 10' ' ' GLY . 0.3 OUTLIER 164.27 179.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 0.779 . . . . 0.0 109.323 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -80.37 69.42 3.15 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.545 ' O ' ' CZ ' ' A' ' 183' ' ' PHE . . . -164.96 109.24 0.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 0.751 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.2 30.04 1.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 45.8 p-80 -61.58 -48.81 79.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.643 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.433 HD13 ' HA ' ' A' ' 16' ' ' ILE . 0.8 OUTLIER -52.17 -38.66 25.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.963 HG22 HG13 ' A' ' 175' ' ' VAL . 6.6 m -55.57 -62.34 1.75 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 110.425 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -46.63 -36.45 6.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.464 ' HG ' ' CE1' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -62.56 -32.98 74.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.091 HD21 HD22 ' A' ' 90' ' ' LEU . 1.1 tm? -65.3 -41.37 94.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.96 ' HB ' HG21 ' A' ' 175' ' ' VAL . 0.4 OUTLIER -59.8 -61.79 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.787 ' CE1' ' HB3' ' A' ' 35' ' ' LEU . 2.0 t80 -66.17 -27.27 67.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.488 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -75.56 -41.87 28.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 1.203 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 0.2 OUTLIER -55.96 -53.09 61.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 0.761 . . . . 0.0 111.026 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 1.034 HD22 ' CE1' ' A' ' 171' ' ' PHE . 6.5 tp -56.48 -44.18 80.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.68 ' CA ' HD21 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -55.94 -34.78 65.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.604 ' N ' ' HG3' ' A' ' 26' ' ' GLN . 6.1 t -63.28 -74.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 110.008 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.7 t -143.01 47.9 1.51 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.012 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.635 ' HA3' HD12 ' A' ' 25' ' ' LEU . . . -87.62 -140.63 6.74 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.517 1.136 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.541 ' HB3' ' CG ' ' A' ' 34' ' ' GLU . 34.8 t -87.07 -93.1 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.476 ' H ' ' HB2' ' A' ' 34' ' ' GLU . 2.9 p -145.25 173.59 11.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.393 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -49.4 -54.61 16.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.918 ' O ' HG23 ' A' ' 37' ' ' VAL . 9.9 tt0 -51.11 -29.44 13.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.234 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.549 ' CG ' HD21 ' A' ' 25' ' ' LEU . 3.5 tp10 -67.84 -58.49 4.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.963 ' HG ' ' HB3' ' A' ' 25' ' ' LEU . 7.2 mp -45.17 -35.61 3.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.155 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 1.1 tt0 -66.33 -50.5 63.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.267 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.918 HG23 ' O ' ' A' ' 33' ' ' GLN . 1.9 t -64.09 -58.92 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.354 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.005 HD21 ' HG ' ' A' ' 167' ' ' LEU . 4.7 mt -66.96 -50.53 62.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.265 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.688 ' HA3' ' O ' ' A' ' 35' ' ' LEU . . . -56.43 -54.68 34.29 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.542 1.151 . . . . 0.0 111.042 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.898 HH21 HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -84.61 84.96 7.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.772 . . . . 0.0 110.319 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.413 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 0.6 OUTLIER -135.05 131.79 37.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.307 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.898 HD21 HH21 ' A' ' 40' ' ' ARG . 3.0 mm? -102.09 106.25 46.87 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 41' ' ' GLU . 18.1 Cg_endo -75.04 56.29 4.23 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.504 1.791 . . . . 0.0 110.944 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.7 t -41.12 -59.52 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.355 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 74.21 137.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 110.286 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.475 ' O ' ' C ' ' A' ' 47' ' ' TYR . . . -164.11 42.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.475 ' C ' ' O ' ' A' ' 46' ' ' ALA . 11.2 t80 -31.04 146.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 111.036 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.416 ' CB ' ' O ' ' A' ' 47' ' ' TYR . 0.1 OUTLIER 167.74 -75.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 107.965 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 39.81 -155.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.265 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 61.5 152.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.467 ' O ' ' C ' ' A' ' 52' ' ' LEU . 5.6 p-10 177.87 89.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.467 ' C ' ' O ' ' A' ' 51' ' ' ASP . 6.7 tp -34.77 143.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.59 149.06 44.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -136.77 166.23 24.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.04 143.86 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.272 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.445 ' O ' HD12 ' A' ' 56' ' ' LEU . 1.5 pp -155.83 88.07 1.1 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -171.08 177.57 3.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.33 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.1 t -86.59 161.25 18.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.395 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -164.32 172.64 13.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -148.77 179.32 25.69 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.5 1.125 . . . . 0.0 110.97 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -130.14 175.88 8.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 0.77 . . . . 0.0 109.971 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -120.34 -82.72 0.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -169.54 -176.81 2.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 109.331 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.49 166.42 29.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.003 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -153.06 157.69 40.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 65' ' ' ARG . 0.4 OUTLIER -37.67 155.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.003 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.448 ' CD2' ' N ' ' A' ' 68' ' ' ASN . 12.6 p90 -103.88 -49.07 3.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.095 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.448 ' N ' ' CD2' ' A' ' 67' ' ' PHE . 1.0 OUTLIER 164.96 -176.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -121.72 -97.36 0.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.269 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 158.81 161.83 11.42 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.441 1.088 . . . . 0.0 110.982 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.0 mmt85 -127.34 -175.44 3.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 0.745 . . . . 0.0 110.272 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.432 ' HA ' ' NE2' ' A' ' 162' ' ' HIS . 14.1 tt -141.58 165.9 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.246 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.65 98.08 4.22 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.145 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.5 ' O ' ' CB ' ' A' ' 75' ' ' ASP . 18.2 Cg_endo -75.01 -162.4 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.554 1.818 . . . . 0.0 111.003 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 74' ' ' PRO . 10.8 t70 82.3 145.89 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.9 m -152.24 -173.36 4.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.991 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -164.44 -164.34 0.83 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.7 m -155.74 175.86 13.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.009 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -156.17 -166.66 2.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 110.235 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' ' 81' ' ' GLU . 7.1 mp0 -126.65 133.98 50.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.506 ' CB ' ' O ' ' A' ' 80' ' ' GLU . 0.7 OUTLIER 160.01 179.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 110.292 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.513 HG22 ' N ' ' A' ' 83' ' ' ILE . 50.5 mm -101.76 -101.93 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.513 ' N ' HG22 ' A' ' 82' ' ' ILE . 7.0 mm -61.36 -42.71 94.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.646 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 92.4 m-70 -62.86 -38.22 89.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.627 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.44 ' HB3' ' O ' ' A' ' 82' ' ' ILE . 7.0 t30 -56.9 -52.48 64.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.82 HG21 ' HG2' ' A' ' 187' ' ' ARG . 4.3 pt -61.37 -30.39 47.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.838 ' HA ' HD23 ' A' ' 20' ' ' LEU . . . -55.45 -51.36 67.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.583 ' O ' ' CB ' ' A' ' 27' ' ' SER . 12.2 mtt180 -64.7 -44.88 88.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.499 ' O ' ' HB ' ' A' ' 93' ' ' ILE . 5.5 t60 -54.31 -22.15 11.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.613 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 1.091 HD22 HD21 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -55.88 -66.09 0.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 1.203 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -52.66 -55.29 23.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.97 -28.78 7.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.294 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.534 ' O ' ' N ' ' A' ' 97' ' ' MET . 0.1 OUTLIER -72.48 -32.25 41.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.515 ' HA2' ' CE ' ' A' ' 153' ' ' MET . . . -59.54 -51.73 57.32 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.498 1.124 . . . . 0.0 110.967 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -64.8 -51.84 60.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 0.753 . . . . 0.0 109.357 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' A' ' 99' ' ' HIS . 1.6 tp10 -61.45 -38.87 88.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.54 ' SD ' ' CD1' ' A' ' 150' ' ' ILE . 4.6 mmt -51.27 -50.54 59.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -41.31 -26.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.332 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.47 ' N ' ' C ' ' A' ' 97' ' ' MET . 3.6 t60 -57.37 -47.77 80.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.615 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.466 ' N ' ' O ' ' A' ' 97' ' ' MET . 0.7 OUTLIER -143.01 84.26 1.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.701 ' CG2' ' O ' ' A' ' 101' ' ' ILE . 0.1 OUTLIER -140.47 92.64 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.918 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 0.0 OUTLIER 151.97 52.15 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.316 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.918 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.2 Cg_endo -75.01 12.99 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.0 111.011 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.76 HG22 ' C ' ' A' ' 103' ' ' PRO . 0.0 OUTLIER 160.13 5.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.404 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.803 HD23 ' O ' ' A' ' 105' ' ' LEU . 4.6 tt 106.99 33.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.995 HG22 ' CD2' ' A' ' 138' ' ' PHE . 1.8 t -63.48 -81.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.806 ' N ' HG12 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -51.98 -32.22 32.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.321 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.429 ' CB ' ' HG ' ' A' ' 105' ' ' LEU . 2.9 mm-40 -63.11 -33.61 75.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.318 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 1.284 HD12 ' N ' ' A' ' 110' ' ' ALA . 0.0 OUTLIER -62.61 -59.89 4.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.358 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 1.284 ' N ' HD12 ' A' ' 109' ' ' LEU . . . -46.01 -58.05 3.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.776 ' HB2' HD11 ' A' ' 154' ' ' LEU . . . -60.4 -17.32 43.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.773 ' HG2' ' N ' ' A' ' 113' ' ' PHE . 0.1 OUTLIER -64.57 -44.12 91.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 1.214 ' CD2' ' O ' ' A' ' 110' ' ' ALA . 3.1 p90 -63.38 -40.27 96.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 111.049 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.857 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 1.8 ttt -61.44 59.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.625 ' N ' ' O ' ' A' ' 113' ' ' PHE . 30.8 p-10 -146.51 149.34 33.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.442 ' HA3' ' NZ ' ' A' ' 123' ' ' LYS . . . 159.87 -146.78 13.23 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.47 1.107 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 118' ' ' LEU . 32.6 t -107.48 -18.08 13.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 110.004 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.569 HD12 ' HA ' ' A' ' 123' ' ' LYS . 0.1 OUTLIER -40.12 -80.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.761 ' C ' ' H ' ' A' ' 121' ' ' GLU . 0.3 OUTLIER -145.91 -169.92 3.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.953 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.611 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 1.6 mt-10 -61.43 27.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.761 ' H ' ' C ' ' A' ' 119' ' ' SER . 1.3 mt-10 95.65 84.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.239 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.991 ' CB ' HD23 ' A' ' 166' ' ' LEU . 2.4 m-20 -164.74 43.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.569 ' HA ' HD12 ' A' ' 118' ' ' LEU . 0.1 OUTLIER -63.56 -167.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.807 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 35.8 mtm180 -109.57 -96.27 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -47.73 -19.88 0.24 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.629 ' HB3' ' CD1' ' A' ' 113' ' ' PHE . 0.1 OUTLIER -42.11 -47.41 4.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 108.286 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 1.091 HD13 ' HA ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -54.16 -69.78 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.435 ' HB1' ' CD ' ' A' ' 180' ' ' GLN . . . -50.14 -29.58 9.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -59.61 -29.12 67.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 1.116 ' HB2' ' CE2' ' A' ' 113' ' ' PHE . . . -72.41 -47.51 48.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.842 ' HG ' HD21 ' A' ' 182' ' ' LEU . 0.1 OUTLIER -40.07 -48.83 2.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.814 ' O ' ' HB ' ' A' ' 136' ' ' THR . 0.9 OUTLIER -64.62 -52.79 55.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.715 ' O ' HG22 ' A' ' 136' ' ' THR . 13.1 mm-40 -53.77 -66.79 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 1.077 HG23 ' CE2' ' A' ' 138' ' ' PHE . 0.2 OUTLIER -53.12 -38.17 29.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.687 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 0.2 OUTLIER -80.12 13.67 2.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.814 ' HB ' ' O ' ' A' ' 132' ' ' ASP . 0.6 OUTLIER -128.93 -14.0 4.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.42 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.65 ' C ' ' HD3' ' A' ' 139' ' ' PRO . . . -102.38 -56.91 2.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 1.077 ' CE2' HG23 ' A' ' 134' ' ' VAL . 0.1 OUTLIER -124.43 47.8 2.12 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 111.0 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.699 ' HD3' ' N ' ' A' ' 138' ' ' PHE . 18.3 Cg_endo -74.95 157.54 42.91 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.464 1.771 . . . . 0.0 111.018 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.792 ' CB ' ' HB2' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 169.61 -144.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 141' ' ' ASP . . . . . 0.529 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 1.5 m-20 -87.12 -146.83 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' MET . . . . . 0.573 ' O ' ' OH ' ' A' ' 185' ' ' TYR . 13.1 ttp -54.79 -31.46 58.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 111.001 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.89 -62.23 1.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.285 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' ASN . . . . . 0.792 ' HB2' ' CB ' ' A' ' 140' ' ' ARG . 1.0 OUTLIER -74.36 -53.72 9.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.594 ' HA ' ' HE3' ' A' ' 148' ' ' MET . 29.0 t0 -38.98 -57.04 1.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.581 ' N ' ' OH ' ' A' ' 185' ' ' TYR . 10.7 ttmt -46.72 -30.83 2.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.724 ' HB3' ' O ' ' A' ' 144' ' ' ASN . . . -56.81 -55.03 39.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 148' ' ' MET . . . . . 0.707 ' HA ' HG21 ' A' ' 134' ' ' VAL . 7.3 ptp -53.46 -41.14 65.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.965 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.502 ' N ' ' CG ' ' A' ' 148' ' ' MET . 0.1 OUTLIER -61.33 -41.93 97.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.588 ' O ' ' HG3' ' A' ' 153' ' ' MET . 17.4 mt -54.49 -27.42 17.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.168 . . . . 0.0 109.343 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 151' ' ' MET . . . . . 1.016 ' HB2' ' CZ ' ' A' ' 177' ' ' PHE . 0.5 OUTLIER -62.88 -48.44 79.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 152' ' ' THR . . . . . 0.91 ' OG1' ' O ' ' A' ' 173' ' ' THR . 0.8 OUTLIER -54.15 -55.52 27.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.126 . . . . 0.0 110.388 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 153' ' ' MET . . . . . 0.588 ' HG3' ' O ' ' A' ' 150' ' ' ILE . 0.0 OUTLIER -65.79 -25.15 67.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 111.029 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.935 ' C ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -53.71 -60.06 3.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 1.002 ' HB2' HG21 ' A' ' 173' ' ' THR . 3.6 mp -50.71 -45.96 58.69 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 1.138 ' O ' ' N ' ' A' ' 160' ' ' ALA . . . -60.55 -64.59 0.9 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.608 ' O ' ' HB2' ' A' ' 162' ' ' HIS . 0.0 OUTLIER -44.67 -36.85 3.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.256 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 158' ' ' LYS . . . . . 0.826 ' O ' ' N ' ' A' ' 163' ' ' ALA . 4.5 mmtt -81.05 -38.68 27.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 159' ' ' VAL . . . . . 0.88 HG13 ' O ' ' A' ' 163' ' ' ALA . 6.8 t -100.01 -47.73 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 1.138 ' N ' ' O ' ' A' ' 156' ' ' ALA . . . -24.08 -69.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.92 -6.55 5.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 0.0 109.975 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 162' ' ' HIS . . . . . 0.656 ' CB ' ' O ' ' A' ' 158' ' ' LYS . 1.8 m-70 -87.17 -41.99 13.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 109.589 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 0.88 ' O ' HG13 ' A' ' 159' ' ' VAL . . . -132.23 89.61 36.85 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 49.26 2.21 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.462 1.769 . . . . 0.0 111.033 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 165' ' ' SER . . . . . 0.598 ' O ' HD22 ' A' ' 166' ' ' LEU . 0.9 OUTLIER -94.71 -24.34 17.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.986 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.991 HD23 ' CB ' ' A' ' 122' ' ' ASP . 0.3 OUTLIER -142.85 118.1 10.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 167' ' ' LEU . . . . . 1.005 ' HG ' HD21 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -85.93 -77.04 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 168' ' ' ARG . . . . . 0.501 ' HG3' ' N ' ' A' ' 169' ' ' ASP . 0.4 OUTLIER -51.11 -39.96 57.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.289 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 169' ' ' ASP . . . . . 0.742 ' HB2' HD12 ' A' ' 166' ' ' LEU . 0.1 OUTLIER -59.96 -39.9 87.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 170' ' ' VAL . . . . . 0.892 ' CG1' HD13 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -52.21 -56.64 5.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 171' ' ' PHE . . . . . 1.034 ' CE1' HD22 ' A' ' 25' ' ' LEU . 1.1 m-30 -61.77 -52.15 65.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 172' ' ' HIS . . . . . 0.575 ' O ' ' CB ' ' A' ' 176' ' ' ASN . 4.7 t60 -52.22 -35.84 50.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.565 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 173' ' ' THR . . . . . 1.091 ' HA ' HD13 ' A' ' 127' ' ' LEU . 26.5 m -61.05 -52.29 65.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 110.38 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 174' ' ' THR . . . . . 0.904 ' HA ' HG23 ' A' ' 152' ' ' THR . 40.2 p -59.46 -64.1 1.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.387 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 175' ' ' VAL . . . . . 0.963 HG13 HG22 ' A' ' 17' ' ' THR . 2.1 t -66.24 -0.14 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 176' ' ' ASN . . . . . 0.846 ' HB3' ' O ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -72.18 -59.35 2.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 177' ' ' PHE . . . . . 1.016 ' CZ ' ' HB2' ' A' ' 151' ' ' MET . 5.8 m-85 -52.04 -44.31 64.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 178' ' ' ILE . . . . . 0.806 ' CG2' HG23 ' A' ' 17' ' ' THR . 2.3 mt -63.24 -54.81 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 179' ' ' ASN . . . . . 0.549 ' C ' ' ND2' ' A' ' 179' ' ' ASN . 0.1 OUTLIER -53.88 -35.38 61.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 180' ' ' GLN . . . . . 0.596 ' HB2' ' O ' ' A' ' 177' ' ' PHE . 26.2 mm-40 -51.26 -101.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.583 1.177 . . . . 0.0 110.29 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.563 ' C ' HD13 ' A' ' 182' ' ' LEU . 17.5 t-20 -119.19 -5.33 10.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 182' ' ' LEU . . . . . 0.881 HD13 ' N ' ' A' ' 182' ' ' LEU . 0.0 OUTLIER -93.67 22.75 5.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 183' ' ' PHE . . . . . 0.586 ' N ' ' O ' ' A' ' 178' ' ' ILE . 1.3 t80 -35.28 -31.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 184' ' ' SER . . . . . 0.511 ' N ' ' O ' ' A' ' 182' ' ' LEU . 0.0 OUTLIER -154.55 119.32 4.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.051 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 185' ' ' TYR . . . . . 0.581 ' OH ' ' N ' ' A' ' 146' ' ' LYS . 0.8 OUTLIER -82.39 172.88 12.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 186' ' ' VAL . . . . . 0.492 ' O ' HG23 ' A' ' 190' ' ' VAL . 9.5 p -40.64 -35.62 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 109.339 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.82 ' HG2' HG21 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -53.88 -50.12 67.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.335 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 188' ' ' ASN . . . . . 0.426 ' O ' ' OD1' ' A' ' 192' ' ' ASN . 7.9 m-80 -61.56 -45.19 95.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.497 ' O ' ' ND2' ' A' ' 192' ' ' ASN . 5.6 mt -53.58 -44.43 69.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 190' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 186' ' ' VAL . 69.8 t -62.53 -39.59 85.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -50.9 -57.65 7.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.269 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 192' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 189' ' ' LEU . 1.3 p-10 -65.55 -51.61 58.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 193' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 192' ' ' ASN . 1.0 OUTLIER 37.19 79.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.327 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 194' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -155.46 165.7 35.78 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 0.0 110.959 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.496 0.188 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 73.39 165.25 0.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.248 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -131.76 -173.31 3.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.001 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.623 ' O ' HG22 ' A' ' 5' ' ' VAL . 0.4 OUTLIER -148.39 -68.28 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.623 HG22 ' O ' ' A' ' 4' ' ' GLU . 16.1 m 47.74 -170.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.316 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.519 ' HB2' ' CG ' ' A' ' 47' ' ' TYR . 2.0 m 171.56 -173.93 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.147 . . . . 0.0 110.008 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -154.05 143.29 21.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -137.09 -171.76 12.3 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.533 1.146 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 86.6 p -149.79 -176.35 5.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 109.997 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -95.92 -160.77 32.95 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.488 1.118 . . . . 0.0 110.967 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 22.6 tp -114.88 -88.23 0.57 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 0.79 . . . . 0.0 109.275 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 152.5 175.25 23.86 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.553 1.158 . . . . 0.0 111.003 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.91 -176.93 0.88 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.768 . . . . 0.0 109.352 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.522 ' HG2' ' CD1' ' A' ' 183' ' ' PHE . 0.5 OUTLIER -53.1 125.71 18.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -57.01 -46.7 82.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.592 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.823 HD12 ' CG2' ' A' ' 83' ' ' ILE . 0.6 OUTLIER -58.83 -55.06 25.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . 1.005 HG22 HG13 ' A' ' 175' ' ' VAL . 5.3 m -49.6 -43.34 46.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.394 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.97 -39.31 59.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.559 ' O ' ' N ' ' A' ' 23' ' ' GLY . 1.2 mm? -64.23 -29.84 70.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.095 HD21 HD22 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -63.1 -49.4 74.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.956 ' HB ' HG21 ' A' ' 175' ' ' VAL . 0.5 OUTLIER -58.29 -62.46 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 1.039 ' CE1' HD12 ' A' ' 35' ' ' LEU . 0.9 OUTLIER -62.18 -32.8 73.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -75.64 -34.73 48.49 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.12 . . . . 0.0 111.041 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 1.262 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 5.6 t80 -52.86 -58.73 5.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.788 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.876 ' HB2' ' CZ ' ' A' ' 171' ' ' PHE . 0.5 OUTLIER -57.05 -43.16 81.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.713 ' HB2' HD13 ' A' ' 35' ' ' LEU . 17.0 tt0 -54.05 -33.73 58.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.536 ' CB ' ' O ' ' A' ' 88' ' ' ARG . 0.6 OUTLIER -68.03 -93.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.972 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.8 41.67 1.31 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.023 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.578 ' HA3' HD12 ' A' ' 25' ' ' LEU . . . -78.78 -119.2 0.25 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.445 ' HB3' ' HG2' ' A' ' 34' ' ' GLU . 49.7 t -77.68 -93.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 34' ' ' GLU . 0.6 OUTLIER -141.62 150.73 42.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 110.405 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.989 ' O ' HD23 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -42.71 -55.17 3.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 110.327 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -55.0 -26.14 34.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.711 ' C ' HD23 ' A' ' 25' ' ' LEU . 6.6 tp10 -68.45 -55.78 10.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 1.039 HD12 ' CE1' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -44.53 -36.51 3.01 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.484 ' N ' ' HG ' ' A' ' 35' ' ' LEU . 14.5 tm-20 -71.25 -46.28 61.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.81 HG13 HD23 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -61.0 -57.68 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.089 HD21 ' HB2' ' A' ' 167' ' ' LEU . 11.4 mt -69.22 -42.01 76.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.575 ' HA3' ' CD1' ' A' ' 22' ' ' PHE . . . -46.76 -41.81 13.85 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 177.08 98.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.566 0.803 . . . . 0.0 110.279 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.43 ' HB2' ' HA ' ' A' ' 37' ' ' VAL . 8.1 tm-20 -143.24 137.33 28.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -102.3 105.49 43.42 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.425 ' HD3' ' O ' ' A' ' 41' ' ' GLU . 18.3 Cg_endo -75.0 151.66 39.81 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.481 1.78 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.443 ' O ' ' C ' ' A' ' 45' ' ' GLN . 55.0 t -39.91 112.74 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.15 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 44' ' ' VAL . 3.0 tp60 -34.51 141.96 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 47' ' ' TYR . . . -158.2 47.0 0.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.113 . . . . 0.0 109.253 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.576 ' O ' ' CG ' ' A' ' 48' ' ' TRP . 51.3 t80 -33.89 151.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.576 ' CG ' ' O ' ' A' ' 47' ' ' TYR . 0.7 OUTLIER 156.76 139.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.164 . . . . 0.0 107.991 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.683 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 1.8 pp20? 173.65 -36.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.274 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.683 ' HB2' ' O ' ' A' ' 49' ' ' GLU . . . 162.66 151.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.42 ' O ' ' O ' ' A' ' 52' ' ' LEU . 10.7 t0 -161.14 115.91 2.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.42 ' O ' ' O ' ' A' ' 51' ' ' ASP . 11.2 tp 61.21 142.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -123.28 172.62 8.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -130.78 174.79 9.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.245 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -145.21 172.16 13.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -174.99 177.74 1.91 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.343 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -128.31 150.93 49.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 110.318 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.5 t -153.56 169.3 23.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.423 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -150.76 149.74 30.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.155 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 155.34 178.02 29.18 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.462 1.102 . . . . 0.0 110.969 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -106.88 172.16 6.97 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.48 0.753 . . . . 0.0 110.001 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.8 177.14 11.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.304 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -149.22 -176.28 5.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.346 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 29.2 m 67.48 139.56 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.011 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -111.29 -69.86 0.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.264 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.5 m 74.25 171.09 0.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.01 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -151.08 179.4 8.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.954 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -166.76 109.14 0.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -82.05 -174.17 4.92 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -166.65 164.76 37.96 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.554 1.158 . . . . 0.0 110.961 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.6 mtt-85 -147.57 159.77 43.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 0.776 . . . . 0.0 110.318 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 70.6 mt -136.87 138.54 45.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.498 ' OE2' ' CD1' ' A' ' 182' ' ' LEU . 0.0 OUTLIER -87.55 149.27 46.11 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.494 ' O ' ' CB ' ' A' ' 75' ' ' ASP . 18.2 Cg_endo -75.07 -58.84 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.487 1.783 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 74' ' ' PRO . 1.0 OUTLIER 81.56 170.83 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.49 -167.79 1.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.959 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -45.58 169.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 36.2 p -156.61 113.71 3.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.033 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.461 ' O ' ' CB ' ' A' ' 80' ' ' GLU . 35.9 mt-30 -126.26 -103.82 0.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.461 ' CB ' ' O ' ' A' ' 79' ' ' GLN . 0.0 OUTLIER 163.88 165.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.278 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.406 ' CB ' ' O ' ' A' ' 80' ' ' GLU . 2.5 mt-10 167.17 -83.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.322 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 27.2 mm -101.75 -15.84 7.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 109.295 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.823 ' CG2' HD12 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -52.33 -32.36 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.676 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 59.0 m-70 -63.64 -60.18 3.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.565 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.428 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 15.8 t-20 -53.76 -47.14 70.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.572 HG22 HD13 ' A' ' 83' ' ' ILE . 0.1 OUTLIER -62.46 -30.27 48.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.329 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.942 ' HA ' HD22 ' A' ' 20' ' ' LEU . . . -56.43 -60.75 3.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.536 ' O ' ' CB ' ' A' ' 27' ' ' SER . 4.5 ptt85 -64.71 -37.68 88.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.411 ' HB3' ' HA ' ' A' ' 86' ' ' ILE . 19.2 t-160 -53.97 -24.19 15.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.602 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 1.095 HD22 HD21 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -54.66 -60.83 2.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 1.262 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -53.14 -56.27 17.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -49.95 -28.87 7.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.113 . . . . 0.0 110.29 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.613 HG22 ' O ' ' A' ' 90' ' ' LEU . 0.1 OUTLIER -70.8 -36.02 62.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.08 . . . . 0.0 109.286 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -58.56 -53.28 47.3 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.413 ' O ' ' OD1' ' A' ' 98' ' ' ASP . 22.3 t70 -61.29 -52.66 63.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 0.745 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -37.69 79.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.557 ' SD ' ' O ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -51.12 -49.36 60.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 111.017 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 99' ' ' HIS . 1.3 p-10 -38.55 -30.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.464 ' N ' ' O ' ' A' ' 97' ' ' MET . 25.6 t60 -54.66 -49.38 70.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.142 . . . . 0.0 109.615 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.494 ' N ' ' O ' ' A' ' 97' ' ' MET . 39.5 t-20 -146.49 87.62 1.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.356 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.632 HG22 ' O ' ' A' ' 101' ' ' ILE . 0.3 OUTLIER -145.36 101.07 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.915 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 0.0 OUTLIER 163.11 48.86 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 110.321 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.915 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.1 Cg_endo -75.04 7.13 3.01 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.544 1.813 . . . . 0.0 110.963 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.999 ' O ' HD22 ' A' ' 105' ' ' LEU . 0.8 OUTLIER 168.43 -3.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.421 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.999 HD22 ' O ' ' A' ' 104' ' ' THR . 0.2 OUTLIER 111.83 39.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 1.158 HG12 ' CE2' ' A' ' 138' ' ' PHE . 1.8 m -50.25 -70.56 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.337 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.784 ' H ' HG23 ' A' ' 106' ' ' VAL . 7.9 ttt-85 -48.39 -43.26 33.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.261 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.41 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 38.9 mt-30 -70.28 -21.92 62.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 1.359 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 0.3 OUTLIER -69.07 -64.73 0.81 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 1.193 ' O ' ' CD2' ' A' ' 113' ' ' PHE . . . -68.08 -36.05 79.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.691 ' CB ' ' O ' ' A' ' 107' ' ' ARG . . . -63.21 -36.88 85.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 1.359 ' HG3' ' O ' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -51.68 -58.33 6.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.309 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 1.193 ' CD2' ' O ' ' A' ' 110' ' ' ALA . 1.0 OUTLIER -52.62 -43.43 65.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.825 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 9.3 tpt -53.36 131.87 38.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.972 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 42.7 m-20 -110.08 -77.81 0.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.401 ' O ' HD21 ' A' ' 166' ' ' LEU . . . 159.21 -31.26 0.44 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.461 1.101 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.417 ' HA ' ' NZ ' ' A' ' 123' ' ' LYS . 1.4 t -156.58 67.48 0.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 0.783 . . . . 0.0 110.042 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.911 HD21 ' SG ' ' A' ' 126' ' ' CYS . 1.2 mp -38.74 -71.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.565 ' C ' ' H ' ' A' ' 121' ' ' GLU . 0.3 OUTLIER -144.94 69.03 1.24 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.982 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.585 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 8.4 pt-20 45.78 12.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.266 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.585 ' CB ' ' O ' ' A' ' 120' ' ' GLU . 1.9 mt-10 154.35 84.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.801 ' O ' HD13 ' A' ' 118' ' ' LEU . 0.2 OUTLIER -157.33 25.89 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.422 ' HG3' HD12 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -77.3 93.75 4.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.318 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.787 ' HA ' HD11 ' A' ' 127' ' ' LEU . 2.0 ttm180 178.86 -50.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.263 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.453 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 2.4 m-20 -67.62 -43.31 80.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.911 ' SG ' HD21 ' A' ' 118' ' ' LEU . 0.1 OUTLIER -52.88 -57.55 9.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 108.288 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.9 HD13 ' HA ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -53.43 -63.12 1.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 0.0 109.327 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.994 ' O ' HD23 ' A' ' 131' ' ' LEU . . . -44.87 -44.06 9.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.453 ' HB2' ' O ' ' A' ' 125' ' ' ASN . 0.0 OUTLIER -62.28 -17.12 57.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 1.164 ' HB2' ' CD2' ' A' ' 113' ' ' PHE . . . -74.25 -49.45 23.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.994 HD23 ' O ' ' A' ' 128' ' ' ALA . 0.0 OUTLIER -46.9 -40.78 14.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.66 ' O ' HG23 ' A' ' 136' ' ' THR . 4.2 m-20 -65.61 -48.68 71.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.342 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.845 ' CB ' HD21 ' A' ' 109' ' ' LEU . 1.9 mm-40 -57.76 -58.78 6.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 1.133 HG23 ' CE2' ' A' ' 138' ' ' PHE . 0.2 OUTLIER -54.58 -39.36 45.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.565 ' NZ ' HD11 ' A' ' 131' ' ' LEU . 18.9 mtmt -74.71 -0.29 17.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.777 ' OG1' ' O ' ' A' ' 133' ' ' GLU . 2.4 p -116.78 -15.59 10.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.145 . . . . 0.0 110.387 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.716 ' HB3' ' CD1' ' A' ' 138' ' ' PHE . . . -101.52 -54.95 2.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 1.158 ' CE2' HG12 ' A' ' 106' ' ' VAL . 0.1 OUTLIER -125.8 64.77 51.82 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 111.015 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.62 ' C ' ' HB2' ' A' ' 144' ' ' ASN . 18.2 Cg_endo -75.0 157.15 42.93 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.499 1.789 . . . . 0.0 110.956 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.809 ' N ' ' CB ' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 169.66 -167.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.294 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 141' ' ' ASP . . . . . 0.615 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 10.7 m-20 -86.46 -106.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 3.7 ptt? -69.21 -31.67 70.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.72 -60.25 3.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.331 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' ASN . . . . . 0.809 ' CB ' ' N ' ' A' ' 140' ' ' ARG . 1.3 t30 -67.33 -56.26 10.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.615 ' CB ' ' O ' ' A' ' 141' ' ' ASP . 55.4 t0 -39.08 -56.41 1.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.679 ' O ' HD13 ' A' ' 150' ' ' ILE . 4.2 ttmt -64.82 -28.39 69.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.639 ' HB3' ' O ' ' A' ' 144' ' ' ASN . . . -62.05 -57.19 12.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 148' ' ' MET . . . . . 0.895 ' HE3' ' CD2' ' A' ' 177' ' ' PHE . 0.0 OUTLIER -50.54 -47.49 57.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 111.037 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.78 ' N ' ' HG3' ' A' ' 148' ' ' MET . 0.9 OUTLIER -52.7 -40.2 62.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.679 HD13 ' O ' ' A' ' 146' ' ' LYS . 1.3 mp -62.0 -25.13 36.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 151' ' ' MET . . . . . 1.044 ' HG2' HG11 ' A' ' 134' ' ' VAL . 0.0 OUTLIER -57.62 -57.79 11.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.969 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 152' ' ' THR . . . . . 1.161 ' OG1' ' O ' ' A' ' 173' ' ' THR . 4.8 t -57.14 -48.42 78.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.422 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 153' ' ' MET . . . . . 0.444 ' CE ' HD12 ' A' ' 150' ' ' ILE . 49.1 mtm -64.45 -28.01 69.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.972 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 1.084 ' C ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -55.67 -53.92 50.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 1.185 ' O ' HG23 ' A' ' 159' ' ' VAL . 4.8 mp -47.44 -58.72 3.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.927 ' HA ' HG22 ' A' ' 170' ' ' VAL . . . -54.89 -52.12 63.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.738 ' HA ' ' CB ' ' A' ' 161' ' ' SER . 0.4 OUTLIER -46.03 -49.56 16.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.263 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 158' ' ' LYS . . . . . 0.63 ' HD3' HD23 ' A' ' 154' ' ' LEU . 0.1 OUTLIER -75.79 -43.47 46.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.309 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 159' ' ' VAL . . . . . 1.185 HG23 ' O ' ' A' ' 155' ' ' LEU . 7.2 t -71.86 -129.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.722 ' H ' HG21 ' A' ' 170' ' ' VAL . . . -25.65 -62.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 161' ' ' SER . . . . . 0.738 ' CB ' ' HA ' ' A' ' 157' ' ' LYS . 0.5 OUTLIER -49.74 -12.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.003 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 162' ' ' HIS . . . . . 0.977 ' N ' ' O ' ' A' ' 159' ' ' VAL . 0.3 OUTLIER -151.53 -49.64 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.604 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 1.079 ' N ' ' O ' ' A' ' 159' ' ' VAL . . . -110.34 93.92 17.24 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 164' ' ' PRO . . . . . 0.462 ' HD3' ' O ' ' A' ' 162' ' ' HIS . 18.2 Cg_endo -74.97 61.53 5.66 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.545 1.813 . . . . 0.0 110.967 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.88 -47.23 3.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.983 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.63 HD12 ' CG1' ' A' ' 159' ' ' VAL . 0.0 OUTLIER -117.61 66.42 0.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.262 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 167' ' ' LEU . . . . . 1.089 ' HB2' HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -53.56 -70.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 168' ' ' ARG . . . . . 1.032 ' H ' HD13 ' A' ' 167' ' ' LEU . 4.8 ptt85 -46.55 -46.67 19.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.333 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 169' ' ' ASP . . . . . 0.59 ' N ' ' HG3' ' A' ' 168' ' ' ARG . 29.2 m-20 -65.07 -37.06 86.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.102 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 170' ' ' VAL . . . . . 0.927 HG22 ' HA ' ' A' ' 156' ' ' ALA . 1.2 t -51.77 -60.45 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 171' ' ' PHE . . . . . 1.031 ' CD2' ' HB2' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -53.2 -53.01 56.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 172' ' ' HIS . . . . . 0.498 ' O ' ' HB3' ' A' ' 176' ' ' ASN . 20.8 t-160 -52.16 -33.58 41.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.591 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 173' ' ' THR . . . . . 1.161 ' O ' ' OG1' ' A' ' 152' ' ' THR . 48.9 m -60.05 -55.96 27.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.58 1.175 . . . . 0.0 110.42 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 174' ' ' THR . . . . . 0.562 ' HA ' ' OG1' ' A' ' 152' ' ' THR . 17.4 p -53.35 -64.8 0.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.412 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 175' ' ' VAL . . . . . 1.005 HG13 HG22 ' A' ' 17' ' ' THR . 11.7 t -69.82 8.43 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 176' ' ' ASN . . . . . 0.826 ' HB3' ' O ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -78.88 -54.9 5.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 177' ' ' PHE . . . . . 0.895 ' CD2' ' HE3' ' A' ' 148' ' ' MET . 0.8 OUTLIER -59.32 -52.78 64.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 178' ' ' ILE . . . . . 0.791 HD12 ' HA ' ' A' ' 175' ' ' VAL . 1.8 mt -51.66 -51.51 26.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -56.96 -39.93 75.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -92.87 2.93 56.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 1.1 ' ND2' HD22 ' A' ' 182' ' ' LEU . 44.6 t30 -100.4 -147.43 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 182' ' ' LEU . . . . . 1.1 HD22 ' ND2' ' A' ' 181' ' ' ASN . 0.0 OUTLIER -96.67 42.36 1.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 183' ' ' PHE . . . . . 0.843 ' O ' ' CG ' ' A' ' 183' ' ' PHE . 1.7 t80 25.64 46.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 111.004 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 184' ' ' SER . . . . . 0.582 ' CB ' ' O ' ' A' ' 183' ' ' PHE . 1.7 m 153.34 132.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.103 . . . . 0.0 110.004 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 185' ' ' TYR . . . . . 0.601 ' CZ ' HG12 ' A' ' 186' ' ' VAL . 25.1 t80 -75.79 160.26 30.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 111.025 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 186' ' ' VAL . . . . . 0.601 HG12 ' CZ ' ' A' ' 185' ' ' TYR . 2.1 p -46.59 -41.82 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.565 ' HB2' ' CD2' ' A' ' 185' ' ' TYR . 7.0 ttt180 -54.59 -51.82 64.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 188' ' ' ASN . . . . . 0.424 ' ND2' HG12 ' A' ' 83' ' ' ILE . 0.8 OUTLIER -53.15 -44.11 67.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 24.4 tp -56.36 -51.21 69.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.333 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 190' ' ' VAL . . . . . 0.422 HG12 ' O ' ' A' ' 187' ' ' ARG . 0.4 OUTLIER -59.66 -45.51 94.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 191' ' ' ARG . . . . . 0.401 ' N ' ' CG1' ' A' ' 190' ' ' VAL . 10.2 mmt180 -54.4 -50.17 68.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.233 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -54.34 -46.45 72.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 193' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 194' ' ' MET . 1.0 OUTLIER 46.9 55.89 7.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.266 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 194' ' ' MET . . . . . 0.407 ' C ' ' O ' ' A' ' 193' ' ' GLU . 3.1 ptt? 36.67 38.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.507 0.194 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -86.34 146.98 26.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.2 p -157.07 -152.85 0.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.985 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -121.26 -40.12 2.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.416 HG12 ' N ' ' A' ' 6' ' ' SER . 78.3 t 64.38 -89.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.416 ' N ' HG12 ' A' ' 5' ' ' VAL . 0.5 OUTLIER 52.94 76.34 0.2 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.011 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -176.58 173.3 2.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 137.6 160.81 8.68 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.56 -75.28 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 0.769 . . . . 0.0 110.019 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.74 162.13 10.88 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.465 1.103 . . . . 0.0 111.01 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 63.11 147.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.431 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . 139.47 -28.47 2.56 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.488 1.118 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . 68.48 147.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 0.789 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.531 ' HD3' ' CD1' ' A' ' 183' ' ' PHE . 2.6 ttpp -143.12 115.63 8.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.09 -40.77 98.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.642 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.702 HD11 ' CE1' ' A' ' 84' ' ' HIS . 0.4 OUTLIER -53.26 -42.84 48.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.76 HG23 ' CG2' ' A' ' 178' ' ' ILE . 87.8 m -53.51 -45.99 69.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.368 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -50.84 -41.02 57.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 23' ' ' GLY . 3.9 mm? -65.12 -27.3 68.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.952 ' CG ' HD22 ' A' ' 90' ' ' LEU . 2.0 tm? -63.13 -42.75 99.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 1.135 ' HB ' HG21 ' A' ' 175' ' ' VAL . 0.4 OUTLIER -61.27 -61.68 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.845 ' CD1' ' HG ' ' A' ' 35' ' ' LEU . 3.7 t80 -61.36 -32.98 72.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -76.11 -36.14 41.54 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.452 1.095 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 1.159 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 1.9 t80 -51.85 -56.2 15.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 0.75 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 1.009 HD22 ' CE1' ' A' ' 171' ' ' PHE . 0.3 OUTLIER -58.97 -43.8 91.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.759 ' HB2' HD12 ' A' ' 35' ' ' LEU . 3.3 tt0 -54.06 -31.68 52.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.568 1.167 . . . . 0.0 110.278 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.568 ' CB ' ' O ' ' A' ' 88' ' ' ARG . 34.1 t -67.04 -96.59 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.009 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.43 33.65 1.31 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.008 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.432 ' HA3' HD12 ' A' ' 25' ' ' LEU . . . -77.42 -103.76 0.17 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.459 1.1 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.765 ' SG ' ' HB1' ' A' ' 160' ' ' ALA . 0.8 OUTLIER -88.76 -98.22 0.09 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.495 HG22 ' HG3' ' A' ' 32' ' ' ARG . 47.4 m -147.88 157.14 43.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.371 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.495 ' HG3' HG22 ' A' ' 31' ' ' THR . 0.0 OUTLIER -44.34 -53.03 7.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.296 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -59.55 -27.4 66.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.282 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.697 ' C ' HD23 ' A' ' 25' ' ' LEU . 2.0 tp10 -67.6 -55.01 15.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.1 . . . . 0.0 110.296 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 1.094 HD23 ' N ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -48.39 -32.96 8.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 1.094 ' N ' HD23 ' A' ' 35' ' ' LEU . 26.3 tt0 -70.85 -49.26 48.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.963 HG13 HD23 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -63.76 -56.86 14.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.963 HD23 HG13 ' A' ' 37' ' ' VAL . 9.7 mt -64.59 -43.84 92.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.817 ' HA3' ' CD2' ' A' ' 22' ' ' PHE . . . -59.82 -51.96 55.81 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.99 105.93 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 0.753 . . . . 0.0 110.292 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.411 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 1.5 tp10 -142.76 101.68 3.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 110.294 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 1.015 ' O ' HD23 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -96.93 109.11 47.42 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.467 ' O ' ' N ' ' A' ' 45' ' ' GLN . 18.3 Cg_endo -74.97 92.87 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.476 1.777 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 41.4 t -40.51 96.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 43' ' ' PRO . 2.5 tt0 38.71 90.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.524 ' O ' ' N ' ' A' ' 48' ' ' TRP . . . -78.93 56.45 1.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.45 ' O ' ' HB3' ' A' ' 48' ' ' TRP . 28.7 t80 -41.18 91.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.642 ' O ' ' CG ' ' A' ' 48' ' ' TRP . 0.8 OUTLIER 177.04 37.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.69 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 33.6 mt-10 -111.56 150.11 30.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.69 ' HB2' ' O ' ' A' ' 49' ' ' GLU . . . 161.45 82.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.475 ' O ' ' C ' ' A' ' 52' ' ' LEU . 0.6 OUTLIER -164.0 114.62 1.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.334 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.475 ' C ' ' O ' ' A' ' 51' ' ' ASP . 0.8 OUTLIER -34.9 -82.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -166.45 113.83 0.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.268 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -82.68 151.99 26.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -139.16 153.59 47.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.261 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.411 ' O ' HD12 ' A' ' 56' ' ' LEU . 1.8 pp -170.98 95.51 0.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -171.79 123.19 0.52 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 39.7 p -86.59 -78.29 0.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.435 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -163.1 -65.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.64 124.61 4.45 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.444 1.09 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.1 p 179.57 146.75 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 0.8 . . . . 0.0 109.972 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -174.9 129.58 0.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.428 1.08 . . . . 0.0 110.29 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -138.9 157.55 45.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 89.4 p -119.38 142.69 47.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.002 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 66' ' ' SER . 0.1 OUTLIER -152.71 -51.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 65' ' ' ARG . 0.3 OUTLIER -36.08 125.55 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.991 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -45.24 171.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.983 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -75.88 166.24 23.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 70' ' ' GLY . 1.1 tt0 -132.58 169.74 16.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 0.0 110.301 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 69' ' ' GLN . . . -37.87 -59.48 1.38 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.511 1.132 . . . . 0.0 111.04 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -106.66 88.96 2.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 0.0 110.329 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.2 tt -49.96 141.17 3.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.434 ' N ' ' OE1' ' A' ' 73' ' ' GLU . 5.0 pm0 -110.56 114.64 54.76 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 173.61 14.22 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.517 1.799 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 74.66 117.94 0.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 32.9 p 178.03 156.69 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.045 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 74.5 168.72 0.29 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 110.289 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.6 m 62.03 133.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.011 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.93 66.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -138.15 -76.28 0.38 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -117.24 53.03 0.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 110.266 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.558 ' H ' HD13 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -90.71 -22.32 6.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.477 ' O ' ' CG1' ' A' ' 86' ' ' ILE . 0.7 OUTLIER -52.79 -46.49 51.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.712 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 69.9 m80 -61.4 -36.69 81.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.646 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.525 ' O ' ' CG ' ' A' ' 88' ' ' ARG . 3.3 t30 -55.51 -51.26 67.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 1.015 HD13 HG21 ' A' ' 186' ' ' VAL . 2.5 pt -63.19 -27.39 43.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.901 ' HA ' HD23 ' A' ' 20' ' ' LEU . . . -55.51 -55.92 26.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.568 ' O ' ' CB ' ' A' ' 27' ' ' SER . 9.0 ptp180 -63.68 -40.92 98.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.267 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.532 ' NE2' ' CD1' ' A' ' 93' ' ' ILE . 11.8 t-160 -58.64 -18.73 32.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.584 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.952 HD22 ' CG ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -61.0 -67.36 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 1.159 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -48.93 -54.53 15.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.418 ' HB2' ' OG ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -51.91 -27.12 11.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.532 ' CD1' ' NE2' ' A' ' 89' ' ' HIS . 1.1 tp -69.29 -36.89 74.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.73 -54.82 30.9 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -63.1 -49.22 75.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 0.776 . . . . 0.0 109.327 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -60.66 -45.14 95.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.627 ' HG3' HD11 ' A' ' 150' ' ' ILE . 15.0 mmm -54.58 -30.37 54.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.102 . . . . 0.0 111.039 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 97' ' ' MET . 44.4 t0 -37.36 -32.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 97' ' ' MET . 0.6 OUTLIER -51.82 -48.68 63.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.605 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 97' ' ' MET . 1.2 t-20 -144.6 86.57 1.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.867 HG23 ' O ' ' A' ' 101' ' ' ILE . 0.7 OUTLIER -117.13 54.5 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.673 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 0.0 OUTLIER 157.26 58.59 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.365 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.673 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.3 Cg_endo -75.01 3.69 5.4 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.469 1.773 . . . . 0.0 110.985 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.712 ' O ' HD23 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -172.64 5.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.395 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.921 HD12 ' O ' ' A' ' 105' ' ' LEU . 0.5 OUTLIER 103.88 28.85 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 1.233 HG22 ' CE2' ' A' ' 138' ' ' PHE . 0.9 OUTLIER -64.27 -79.44 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.142 . . . . 0.0 109.305 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.925 ' N ' HG12 ' A' ' 106' ' ' VAL . 4.8 ttp180 -55.59 -21.55 17.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.328 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.468 ' O ' ' HB3' ' A' ' 112' ' ' GLN . 18.6 tt0 -65.27 -40.72 94.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 110.272 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 1.248 HD12 ' N ' ' A' ' 110' ' ' ALA . 0.2 OUTLIER -63.79 -61.32 2.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 1.248 ' N ' HD12 ' A' ' 109' ' ' LEU . . . -50.26 -53.6 27.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.43 -16.03 59.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.761 ' HG2' ' N ' ' A' ' 113' ' ' PHE . 1.1 pt20 -63.45 -46.79 84.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 1.139 ' CD2' ' O ' ' A' ' 110' ' ' ALA . 3.3 p90 -63.5 -43.17 98.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.827 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 2.0 ttm -52.58 119.06 4.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.437 ' CG ' ' N ' ' A' ' 116' ' ' GLY . 23.1 p-10 -140.61 -155.38 0.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.437 ' N ' ' CG ' ' A' ' 115' ' ' ASN . . . -160.11 60.73 0.3 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.525 1.141 . . . . 0.0 110.98 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.0 m -155.38 22.1 0.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 0.0 109.994 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.464 HD13 ' O ' ' A' ' 122' ' ' ASP . 3.8 mt -72.46 -92.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.656 ' C ' ' H ' ' A' ' 121' ' ' GLU . 3.5 t -144.21 57.06 1.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.008 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.529 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 0.8 OUTLIER 63.47 -11.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.279 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.656 ' H ' ' C ' ' A' ' 119' ' ' SER . 3.2 mt-10 158.52 77.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.464 ' O ' HD13 ' A' ' 118' ' ' LEU . 22.5 t70 -141.89 33.31 1.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.449 ' O ' ' O ' ' A' ' 122' ' ' ASP . 0.0 OUTLIER -58.61 -117.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.663 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 48.9 ttt180 68.27 -60.46 0.42 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.438 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 7.8 t-20 -68.81 -35.21 76.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.565 ' HB3' ' CD1' ' A' ' 113' ' ' PHE . 0.5 OUTLIER -48.74 -59.4 3.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 108.294 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.915 ' HA ' ' CZ ' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -51.31 -67.57 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -43.82 -33.04 1.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 125' ' ' ASN . 0.3 OUTLIER -55.79 -34.74 65.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.348 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 1.054 ' HB2' ' CD2' ' A' ' 113' ' ' PHE . . . -72.49 -38.37 68.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 1.038 HD23 ' HZ2' ' A' ' 135' ' ' LYS . 0.0 OUTLIER -48.3 -44.21 33.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 1.103 ' O ' ' OG1' ' A' ' 136' ' ' THR . 32.4 t0 -67.71 -62.11 1.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.665 ' HB3' HD13 ' A' ' 109' ' ' LEU . 3.9 mm-40 -52.01 -61.76 2.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 1.022 HG12 ' O ' ' A' ' 130' ' ' ALA . 9.6 p -58.4 -44.06 87.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 1.038 ' HZ2' HD23 ' A' ' 131' ' ' LEU . 0.4 OUTLIER -82.57 29.25 0.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 136' ' ' THR . . . . . 1.103 ' OG1' ' O ' ' A' ' 132' ' ' ASP . 35.0 p -160.34 34.33 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.351 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.646 ' C ' ' HD3' ' A' ' 139' ' ' PRO . . . -146.03 -63.11 0.32 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 1.233 ' CE2' HG22 ' A' ' 106' ' ' VAL . 0.8 OUTLIER -123.98 50.35 3.46 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.981 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.646 ' HD3' ' C ' ' A' ' 137' ' ' ALA . 18.3 Cg_endo -74.99 161.62 38.48 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.487 1.782 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.793 ' HB2' ' CG ' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 168.26 -144.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 141' ' ' ASP . . . . . 0.596 ' O ' ' N ' ' A' ' 145' ' ' ASP . 6.9 m-20 -85.49 -147.35 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' MET . . . . . 0.553 ' O ' ' CB ' ' A' ' 146' ' ' LYS . 0.1 OUTLIER -52.77 -35.22 56.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.995 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.11 -62.88 1.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.272 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' ASN . . . . . 0.793 ' CG ' ' HB2' ' A' ' 140' ' ' ARG . 0.9 OUTLIER -76.48 -52.99 8.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.596 ' N ' ' O ' ' A' ' 141' ' ' ASP . 36.1 t0 -41.31 -54.03 3.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.553 ' CB ' ' O ' ' A' ' 142' ' ' MET . 14.9 ttpt -53.31 -29.87 35.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.75 ' HB3' ' O ' ' A' ' 144' ' ' ASN . . . -54.27 -56.38 18.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 148' ' ' MET . . . . . 0.639 ' HA ' ' HG2' ' A' ' 151' ' ' MET . 0.0 OUTLIER -52.05 -57.42 9.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 111.023 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.714 ' O ' HG22 ' A' ' 152' ' ' THR . 4.4 mp -52.26 -38.5 58.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.627 HD11 ' HG3' ' A' ' 97' ' ' MET . 0.3 OUTLIER -61.52 -27.83 42.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 151' ' ' MET . . . . . 0.864 ' HB2' ' CE2' ' A' ' 177' ' ' PHE . 2.8 mmm -60.81 -59.64 5.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.964 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 152' ' ' THR . . . . . 0.946 ' OG1' ' O ' ' A' ' 173' ' ' THR . 4.8 t -54.18 -44.28 71.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.412 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 153' ' ' MET . . . . . 0.415 ' SD ' HG22 ' A' ' 93' ' ' ILE . 24.3 mtm -64.0 -32.16 73.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.954 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 1.097 ' C ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -54.68 -54.36 42.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 1.114 HD21 ' CZ ' ' A' ' 113' ' ' PHE . 5.0 mp -49.51 -57.34 7.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 1.076 ' HA ' HG22 ' A' ' 170' ' ' VAL . . . -56.16 -50.65 70.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.47 -54.64 13.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 158' ' ' LYS . . . . . 0.717 ' O ' ' N ' ' A' ' 162' ' ' HIS . 0.9 OUTLIER -75.79 -58.31 3.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 159' ' ' VAL . . . . . 1.13 HG13 ' CB ' ' A' ' 163' ' ' ALA . 58.1 t -47.07 -46.22 8.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.132 . . . . 0.0 109.309 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.765 ' HB1' ' SG ' ' A' ' 30' ' ' CYS . . . -33.12 -51.85 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.09 -10.91 13.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.575 1.172 . . . . 0.0 110.002 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 162' ' ' HIS . . . . . 0.717 ' N ' ' O ' ' A' ' 158' ' ' LYS . 13.4 t-80 -87.39 -51.2 6.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.629 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 1.13 ' CB ' HG13 ' A' ' 159' ' ' VAL . . . -116.98 79.59 10.5 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 164' ' ' PRO . . . . . 0.407 ' HD3' ' C ' ' A' ' 162' ' ' HIS . 18.3 Cg_endo -74.99 0.56 8.75 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.553 1.817 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.4 -15.55 20.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.037 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.514 HD12 ' HB1' ' A' ' 163' ' ' ALA . 1.6 mt -115.15 34.92 4.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 167' ' ' LEU . . . . . 0.955 ' HB2' HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -47.4 -53.88 12.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 168' ' ' ARG . . . . . 0.904 ' H ' HD13 ' A' ' 167' ' ' LEU . 0.5 OUTLIER -54.6 -40.38 68.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.326 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 169' ' ' ASP . . . . . 0.594 ' O ' ' OG1' ' A' ' 173' ' ' THR . 0.9 OUTLIER -66.67 -37.74 85.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 170' ' ' VAL . . . . . 1.076 HG22 ' HA ' ' A' ' 156' ' ' ALA . 1.2 t -46.99 -60.43 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 171' ' ' PHE . . . . . 1.009 ' CE1' HD22 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -58.58 -49.06 78.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 110.966 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 172' ' ' HIS . . . . . 0.567 ' O ' ' CB ' ' A' ' 176' ' ' ASN . 18.6 t60 -52.84 -30.74 35.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.592 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 173' ' ' THR . . . . . 0.994 HG21 ' HB2' ' A' ' 155' ' ' LEU . 5.7 m -62.78 -68.9 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.421 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 174' ' ' THR . . . . . 0.905 ' O ' HD12 ' A' ' 178' ' ' ILE . 0.6 OUTLIER -44.27 -58.98 2.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.37 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 175' ' ' VAL . . . . . 1.135 HG21 ' HB ' ' A' ' 21' ' ' VAL . 2.8 t -74.47 8.83 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 176' ' ' ASN . . . . . 0.875 ' HB3' ' O ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -84.3 -55.93 3.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 177' ' ' PHE . . . . . 0.948 ' O ' ' N ' ' A' ' 181' ' ' ASN . 0.6 OUTLIER -60.61 -55.77 29.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 111.01 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 178' ' ' ILE . . . . . 0.905 HD12 ' O ' ' A' ' 174' ' ' THR . 3.0 mt -45.85 -56.41 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 179' ' ' ASN . . . . . 0.611 ' OD1' ' O ' ' A' ' 176' ' ' ASN . 0.1 OUTLIER -59.28 -37.19 77.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.28 14.74 31.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.948 ' N ' ' O ' ' A' ' 177' ' ' PHE . 43.2 t30 -98.22 -140.63 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 182' ' ' LEU . . . . . 0.731 HD22 ' OD1' ' A' ' 181' ' ' ASN . 0.1 OUTLIER -94.0 30.73 1.79 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 183' ' ' PHE . . . . . 0.72 ' O ' ' CD2' ' A' ' 183' ' ' PHE . 0.1 OUTLIER 31.45 99.35 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.157 . . . . 0.0 111.025 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 184' ' ' SER . . . . . 0.482 ' CB ' ' HB2' ' A' ' 187' ' ' ARG . 0.1 OUTLIER 80.11 64.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.984 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 185' ' ' TYR . . . . . 0.659 ' CG ' ' N ' ' A' ' 186' ' ' VAL . 0.0 OUTLIER -52.91 -77.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 111.04 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 186' ' ' VAL . . . . . 1.015 HG21 HD13 ' A' ' 86' ' ' ILE . 3.9 m -44.33 -40.7 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.493 ' O ' ' CG1' ' A' ' 190' ' ' VAL . 0.0 OUTLIER -53.03 -44.42 67.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.286 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 188' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -62.91 -45.26 93.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.71 -54.21 44.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 190' ' ' VAL . . . . . 0.493 ' CG1' ' O ' ' A' ' 187' ' ' ARG . 7.2 p -60.91 -44.69 98.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -52.78 -45.29 67.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.23 -45.49 93.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -124.18 94.6 4.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 194' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.9 134.22 54.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.257 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mmt . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.492 0.186 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.06 -63.87 1.01 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.8 t -171.7 158.77 5.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.031 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 176.73 111.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.273 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.473 ' O ' ' CB ' ' A' ' 6' ' ' SER . 14.6 p -172.93 162.27 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 5' ' ' VAL . 0.3 OUTLIER 84.04 147.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.04 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 16.1 p30 176.82 150.02 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -94.15 175.38 34.89 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.507 1.129 . . . . 0.0 110.989 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.0 m -123.7 48.58 1.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 0.735 . . . . 0.0 110.017 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 47.2 -166.78 0.1 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.526 1.141 . . . . 0.0 110.947 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.0 mt -168.53 178.31 4.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 0.772 . . . . 0.0 109.25 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -73.09 57.97 1.85 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.111 . . . . 0.0 110.96 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 1.031 ' HB1' ' CE2' ' A' ' 183' ' ' PHE . . . -177.39 141.17 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 0.769 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.478 ' HB3' ' O ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER 164.55 -27.03 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 37.0 p-80 -54.25 -44.16 71.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.607 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.618 ' CG2' ' CE2' ' A' ' 183' ' ' PHE . 4.5 tp -54.53 -32.64 25.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.859 HG21 ' N ' ' A' ' 179' ' ' ASN . 4.0 m -54.74 -49.71 70.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.428 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -48.75 -40.88 30.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.543 HD12 ' CD2' ' A' ' 84' ' ' HIS . 2.5 mm? -62.81 -32.03 73.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.068 ' CD2' HD22 ' A' ' 90' ' ' LEU . 0.7 OUTLIER -64.34 -40.04 95.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 1.115 HG13 ' CD2' ' A' ' 171' ' ' PHE . 0.5 OUTLIER -61.74 -64.5 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.727 ' H ' HG12 ' A' ' 21' ' ' VAL . 1.1 t80 -62.01 -31.6 71.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -73.57 -37.57 52.56 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 1.213 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 0.6 OUTLIER -56.86 -55.29 36.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 111.012 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.875 HD22 ' CE1' ' A' ' 171' ' ' PHE . 2.2 tp -56.19 -45.2 79.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.856 HE22 HH21 ' A' ' 88' ' ' ARG . 1.4 tm0? -58.23 -31.85 67.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.652 ' HB3' ' HB3' ' A' ' 91' ' ' ALA . 18.7 t -59.17 -84.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.976 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 t -141.92 37.6 1.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.446 ' HA3' ' HA ' ' A' ' 25' ' ' LEU . . . -83.71 -123.77 0.99 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.476 1.11 . . . . 0.0 110.966 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.511 ' HB3' ' CB ' ' A' ' 34' ' ' GLU . 14.1 t -89.46 -96.65 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.549 ' O ' ' CD2' ' A' ' 35' ' ' LEU . 87.0 m -145.51 169.77 17.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.417 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.717 ' HA ' HD11 ' A' ' 35' ' ' LEU . 2.2 ttt180 -51.75 -48.33 63.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.754 ' O ' HG23 ' A' ' 37' ' ' VAL . 18.2 tt0 -57.25 -29.84 64.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.513 ' HB2' ' H ' ' A' ' 31' ' ' THR . 0.1 OUTLIER -70.61 -57.29 4.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.329 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.783 ' N ' HD23 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -49.63 -32.13 12.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -64.47 -47.89 77.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.309 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 33' ' ' GLN . 2.0 t -63.98 -57.98 9.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.982 HD21 ' HG ' ' A' ' 167' ' ' LEU . 7.5 mt -63.82 -47.36 81.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.674 ' HA3' ' CD2' ' A' ' 22' ' ' PHE . . . -51.56 -45.19 54.18 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.491 1.119 . . . . 0.0 110.967 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.2 ttt85 173.08 121.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 0.743 . . . . 0.0 110.275 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.435 ' OE1' ' N ' ' A' ' 41' ' ' GLU . 2.3 pm0 -135.08 141.59 46.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -100.87 106.68 45.52 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' A' ' 41' ' ' GLU . 18.2 Cg_endo -74.97 169.81 21.8 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.512 1.796 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.631 HG12 ' N ' ' A' ' 45' ' ' GLN . 5.8 t -45.09 -83.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.631 ' N ' HG12 ' A' ' 44' ' ' VAL . 3.3 mm-40 66.4 -94.38 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 110.321 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 47' ' ' TYR . . . 49.1 40.71 18.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.455 ' O ' ' HB2' ' A' ' 48' ' ' TRP . 21.3 t80 -33.11 111.86 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 111.022 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.497 ' HA ' ' CE3' ' A' ' 48' ' ' TRP . 0.0 OUTLIER 166.99 127.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.707 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -134.16 65.46 1.57 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 110.262 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.707 ' HB2' ' O ' ' A' ' 49' ' ' GLU . . . 160.59 54.09 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 178.39 164.71 0.76 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.8 tp -178.73 50.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -151.29 -171.22 3.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.344 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -110.2 157.64 19.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -179.21 170.25 1.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.309 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.3 tt 65.04 135.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.52 170.51 8.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.25 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 t -86.67 53.9 2.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.412 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 72.3 162.57 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.86 -81.43 0.18 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 111.047 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 82.1 p -45.47 133.33 7.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 0.781 . . . . 0.0 110.019 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -70.84 90.38 0.8 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.256 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.05 165.16 22.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 28.7 p -48.08 139.45 8.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 109.997 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.537 ' O ' ' CB ' ' A' ' 66' ' ' SER . 0.1 OUTLIER -91.45 127.67 36.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 110.296 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.537 ' CB ' ' O ' ' A' ' 65' ' ' ARG . 0.4 OUTLIER 155.47 85.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.454 1.096 . . . . 0.0 110.009 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -40.64 117.11 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 111.011 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.446 ' N ' ' OD1' ' A' ' 68' ' ' ASN . 6.6 p-10 -66.1 100.17 0.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -163.97 155.57 16.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 110.308 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 133.28 167.72 11.73 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.447 1.092 . . . . 0.0 111.025 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -100.35 171.43 7.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.761 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.658 HG22 ' HD3' ' A' ' 74' ' ' PRO . 13.5 mm -52.15 128.23 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -127.03 82.03 68.83 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.33 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.658 ' HD3' HG22 ' A' ' 72' ' ' ILE . 18.2 Cg_endo -74.99 -165.16 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.524 1.802 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -47.88 126.76 10.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 78.2 p -135.39 66.47 1.52 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.033 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -117.72 173.66 6.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.259 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 88.3 p -65.58 83.76 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.988 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 179.17 -42.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.351 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 63.69 110.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.321 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -41.36 160.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.331 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.551 ' O ' HD13 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -81.69 -44.19 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.501 HD12 HG12 ' A' ' 16' ' ' ILE . 5.1 pt -53.44 -47.77 58.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.568 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 59.6 m80 -60.37 -31.95 70.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.561 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -59.17 -52.14 66.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.306 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.894 HD13 ' CG1' ' A' ' 186' ' ' VAL . 4.0 pt -61.47 -31.91 51.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.001 ' HA ' HD23 ' A' ' 20' ' ' LEU . . . -55.34 -50.42 69.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.856 HH21 HE22 ' A' ' 26' ' ' GLN . 1.0 OUTLIER -65.95 -52.58 48.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 110.329 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.585 ' CE1' HD11 ' A' ' 93' ' ' ILE . 83.3 t60 -51.8 -18.57 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.56 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 1.068 HD22 ' CD2' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -59.07 -64.18 1.03 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 1.213 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -54.44 -58.06 8.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.429 ' HB2' ' OG ' ' A' ' 27' ' ' SER . 1.0 OUTLIER -49.38 -31.28 9.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 110.306 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.97 HG23 ' SD ' ' A' ' 97' ' ' MET . 2.2 mm -70.86 -32.63 49.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.43 ' HA2' ' SD ' ' A' ' 153' ' ' MET . . . -60.16 -53.04 49.02 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.465 1.103 . . . . 0.0 110.979 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.476 ' N ' ' HD2' ' A' ' 157' ' ' LYS . 10.1 t70 -63.09 -52.76 61.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 0.759 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.63 -39.95 81.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.97 ' SD ' HG23 ' A' ' 93' ' ' ILE . 0.0 OUTLIER -51.29 -51.04 57.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.434 ' OD2' ' O ' ' A' ' 95' ' ' ASP . 0.0 OUTLIER -39.21 -30.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.447 ' N ' ' C ' ' A' ' 97' ' ' MET . 19.8 t-160 -55.58 -48.8 74.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.617 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' A' ' 97' ' ' MET . 0.7 OUTLIER -145.31 88.02 1.84 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.677 HG22 ' O ' ' A' ' 101' ' ' ILE . 0.5 OUTLIER -147.67 95.35 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.93 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 0.0 OUTLIER 159.35 49.82 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.287 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.93 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.3 Cg_endo -75.0 -18.95 18.3 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.519 1.799 . . . . 0.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.691 ' O ' ' CB ' ' A' ' 105' ' ' LEU . 1.8 p -150.04 2.75 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.39 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.691 ' CB ' ' O ' ' A' ' 104' ' ' THR . 4.6 mt 104.48 40.86 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.825 ' O ' ' HE3' ' A' ' 151' ' ' MET . 0.0 OUTLIER -50.16 -88.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.927 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.815 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 18.7 ttp180 -48.26 -22.02 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.494 ' CB ' ' HB3' ' A' ' 105' ' ' LEU . 0.7 OUTLIER -65.99 -51.21 60.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 1.226 HD12 ' N ' ' A' ' 110' ' ' ALA . 0.4 OUTLIER -67.93 -62.68 1.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 1.226 ' N ' HD12 ' A' ' 109' ' ' LEU . . . -48.07 -23.97 0.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.815 ' HB2' ' O ' ' A' ' 107' ' ' ARG . . . -72.67 -46.39 54.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 1.219 ' HG3' ' O ' ' A' ' 109' ' ' LEU . 0.6 OUTLIER -52.78 -42.78 65.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.277 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 1.238 ' CD2' ' HB2' ' A' ' 130' ' ' ALA . 0.1 OUTLIER -58.48 -42.6 87.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.893 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -49.78 110.27 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 111.035 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.419 ' O ' ' O ' ' A' ' 116' ' ' GLY . 0.7 OUTLIER -146.83 -176.66 5.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.353 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 115' ' ' ASN . . . 40.23 -163.68 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.509 1.13 . . . . 0.0 110.977 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.435 ' O ' ' HB3' ' A' ' 118' ' ' LEU . 18.7 m -157.21 69.39 0.57 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 0.745 . . . . 0.0 110.013 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.557 HD12 ' CG ' ' A' ' 122' ' ' ASP . 0.0 OUTLIER 70.57 89.25 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.536 ' O ' ' CG ' ' A' ' 120' ' ' GLU . 3.3 t -134.49 123.57 24.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.415 1.072 . . . . 0.0 109.997 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.536 ' CG ' ' O ' ' A' ' 119' ' ' SER . 0.2 OUTLIER 88.68 -26.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.271 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.492 ' CB ' ' O ' ' A' ' 120' ' ' GLU . 0.6 OUTLIER 160.26 65.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.557 ' CG ' HD12 ' A' ' 118' ' ' LEU . 0.4 OUTLIER 55.53 17.88 2.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.282 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.492 ' C ' ' H ' ' A' ' 125' ' ' ASN . 0.0 OUTLIER 54.15 -88.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.729 HH21 ' HG2' ' A' ' 180' ' ' GLN . 9.0 ttt180 77.31 -25.47 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.579 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 3.4 t-20 -65.62 -43.06 90.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.59 ' C ' ' CD1' ' A' ' 113' ' ' PHE . 0.1 OUTLIER -48.42 -60.36 2.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 108.334 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 1.051 HD13 ' HA ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -52.08 -62.19 1.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.617 ' O ' HD23 ' A' ' 131' ' ' LEU . . . -49.69 -35.42 21.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.579 ' HB2' ' O ' ' A' ' 125' ' ' ASN . 0.0 OUTLIER -60.71 -23.44 64.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 1.238 ' HB2' ' CD2' ' A' ' 113' ' ' PHE . . . -69.65 -53.49 18.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.652 ' O ' ' CB ' ' A' ' 135' ' ' LYS . 0.0 OUTLIER -45.64 -41.12 9.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.993 ' O ' HG23 ' A' ' 136' ' ' THR . 36.1 t0 -61.01 -53.68 54.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.902 ' CB ' HD13 ' A' ' 109' ' ' LEU . 1.0 OUTLIER -59.06 -60.28 4.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.999 HG12 ' O ' ' A' ' 130' ' ' ALA . 0.1 OUTLIER -55.32 -33.16 30.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.283 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.652 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 2.4 ttpt -77.95 -2.33 36.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.257 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.993 HG23 ' O ' ' A' ' 132' ' ' ASP . 19.2 p -113.01 -15.85 12.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.416 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.65 ' HB3' ' CE1' ' A' ' 138' ' ' PHE . . . -106.05 -50.37 3.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 1.121 ' CZ ' HD23 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -119.97 60.47 6.77 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 0.0 110.995 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.699 ' C ' ' HB2' ' A' ' 144' ' ' ASN . 18.4 Cg_endo -74.97 146.23 32.53 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.523 1.802 . . . . 0.0 111.019 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.75 ' N ' ' CB ' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 161.63 -163.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 0.0 110.318 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 141' ' ' ASP . . . . . 0.714 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 6.7 m-20 -92.94 -104.28 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' MET . . . . . 0.603 ' HA ' ' CE2' ' A' ' 185' ' ' TYR . 0.1 OUTLIER -59.77 -31.86 70.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.108 . . . . 0.0 111.001 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 143' ' ' GLU . . . . . 0.436 ' O ' ' HB2' ' A' ' 147' ' ' ALA . 2.5 mm-40 -69.41 -62.69 1.28 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' ASN . . . . . 0.75 ' CB ' ' N ' ' A' ' 140' ' ' ARG . 6.1 t-20 -69.14 -59.62 2.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.714 ' CB ' ' O ' ' A' ' 141' ' ' ASP . 11.9 t0 -38.85 -54.83 1.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.854 ' HB2' ' HZ2' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -67.01 -30.58 70.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.58 ' N ' ' O ' ' A' ' 144' ' ' ASN . . . -64.7 -61.97 1.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 148' ' ' MET . . . . . 0.648 ' HA ' HG21 ' A' ' 134' ' ' VAL . 13.1 ptp -53.19 -41.68 65.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.52 HD23 ' HE3' ' A' ' 146' ' ' LYS . 3.1 tp -61.04 -42.05 97.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.67 HD12 ' O ' ' A' ' 146' ' ' LYS . 0.3 OUTLIER -53.45 -28.57 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 151' ' ' MET . . . . . 1.0 ' HA ' HD23 ' A' ' 154' ' ' LEU . 3.1 mmm -62.84 -52.2 64.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 152' ' ' THR . . . . . 0.931 HG23 ' HA ' ' A' ' 174' ' ' THR . 0.6 OUTLIER -45.67 -50.87 13.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.407 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 153' ' ' MET . . . . . 0.726 ' SD ' HG22 ' A' ' 93' ' ' ILE . 23.5 ptp -69.1 -20.75 64.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 1.0 HD23 ' HA ' ' A' ' 151' ' ' MET . 0.4 OUTLIER -59.71 -55.06 39.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 1.164 ' O ' HG23 ' A' ' 159' ' ' VAL . 0.0 OUTLIER -50.81 -62.8 1.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.843 ' HA ' HG22 ' A' ' 170' ' ' VAL . . . -52.11 -53.83 37.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.732 ' HA ' ' CB ' ' A' ' 161' ' ' SER . 11.7 mmtt -47.14 -50.05 21.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 158' ' ' LYS . . . . . 0.656 ' O ' ' N ' ' A' ' 163' ' ' ALA . 19.3 mmmt -75.16 -44.41 46.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 159' ' ' VAL . . . . . 1.164 HG23 ' O ' ' A' ' 155' ' ' LEU . 10.5 t -69.41 -130.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.67 ' CB ' HG21 ' A' ' 170' ' ' VAL . . . -26.69 -62.19 0.08 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 161' ' ' SER . . . . . 0.732 ' CB ' ' HA ' ' A' ' 157' ' ' LYS . 0.3 OUTLIER -49.63 -12.56 0.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.993 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 162' ' ' HIS . . . . . 0.965 ' N ' ' O ' ' A' ' 159' ' ' VAL . 2.5 m-70 -152.64 -49.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.596 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 1.078 ' N ' ' O ' ' A' ' 159' ' ' VAL . . . -111.84 95.33 28.16 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 164' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 162' ' ' HIS . 18.2 Cg_endo -75.02 50.75 2.61 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.531 1.806 . . . . 0.0 111.019 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 165' ' ' SER . . . . . 0.771 ' O ' HD12 ' A' ' 166' ' ' LEU . 30.6 t -99.42 -22.69 15.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 0.0 110.012 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.771 HD12 ' O ' ' A' ' 165' ' ' SER . 5.6 mp -131.91 85.02 2.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.378 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 167' ' ' LEU . . . . . 0.982 ' HG ' HD21 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -62.46 -85.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 168' ' ' ARG . . . . . 0.499 ' HG2' ' N ' ' A' ' 169' ' ' ASP . 0.0 OUTLIER -53.98 -36.14 62.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 169' ' ' ASP . . . . . 0.595 ' HB3' HD23 ' A' ' 166' ' ' LEU . 0.5 OUTLIER -61.38 -37.6 84.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 170' ' ' VAL . . . . . 0.843 HG22 ' HA ' ' A' ' 156' ' ' ALA . 1.2 t -54.96 -62.39 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 171' ' ' PHE . . . . . 1.115 ' CD2' HG13 ' A' ' 21' ' ' VAL . 0.7 OUTLIER -51.99 -44.41 64.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 111.055 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 172' ' ' HIS . . . . . 0.519 ' O ' ' CB ' ' A' ' 176' ' ' ASN . 46.5 t60 -61.05 -32.17 71.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.576 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 173' ' ' THR . . . . . 1.084 HG22 HD23 ' A' ' 155' ' ' LEU . 21.5 m -66.93 -48.36 68.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.434 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 174' ' ' THR . . . . . 0.931 ' HA ' HG23 ' A' ' 152' ' ' THR . 0.6 OUTLIER -65.5 -61.59 2.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.437 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 175' ' ' VAL . . . . . 1.108 HG21 ' HB ' ' A' ' 21' ' ' VAL . 2.1 t -65.77 1.51 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 176' ' ' ASN . . . . . 0.785 ' CG ' HD12 ' A' ' 127' ' ' LEU . 0.0 OUTLIER -74.43 -59.97 2.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 177' ' ' PHE . . . . . 0.863 ' CZ ' ' HB2' ' A' ' 151' ' ' MET . 2.9 m-85 -51.01 -50.15 59.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.122 . . . . 0.0 111.035 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 178' ' ' ILE . . . . . 0.904 HG23 ' O ' ' A' ' 182' ' ' LEU . 3.1 mp -64.84 -46.3 92.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.461 1.1 . . . . 0.0 109.271 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 179' ' ' ASN . . . . . 0.859 ' N ' HG21 ' A' ' 17' ' ' THR . 1.8 t-20 -56.14 -35.95 67.72 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 180' ' ' GLN . . . . . 0.729 ' HG2' HH21 ' A' ' 124' ' ' ARG . 7.5 mm100 -56.71 -101.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.257 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.633 ' C ' HD13 ' A' ' 182' ' ' LEU . 65.9 t30 -121.08 -2.12 9.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 182' ' ' LEU . . . . . 0.904 ' O ' HG23 ' A' ' 178' ' ' ILE . 0.0 OUTLIER -95.83 36.35 1.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 183' ' ' PHE . . . . . 1.031 ' CE2' ' HB1' ' A' ' 13' ' ' ALA . 4.1 t80 -33.16 -35.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 111.045 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 184' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 182' ' ' LEU . 1.2 m 163.77 105.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.041 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 185' ' ' TYR . . . . . 0.603 ' CE2' ' HA ' ' A' ' 142' ' ' MET . 25.1 t80 -57.76 -53.62 56.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 111.048 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 186' ' ' VAL . . . . . 0.894 ' CG1' HD13 ' A' ' 86' ' ' ILE . 7.2 p -50.05 -53.25 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.534 ' N ' HG13 ' A' ' 186' ' ' VAL . 1.9 tmt_? -57.49 -44.15 84.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 188' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -54.57 -46.21 73.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.69 -44.86 96.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 190' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 186' ' ' VAL . 54.9 t -55.56 -45.4 78.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -47.3 86.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -54.96 -48.44 73.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 43.8 -166.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.341 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 194' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.67 161.69 22.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 11.9 t70 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 179.993 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.496 0.189 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.405 ' O ' ' CB ' ' A' ' 3' ' ' SER . 4.5 p-10 167.4 132.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.6 OUTLIER 166.83 -170.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.016 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 71.33 -169.12 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.417 ' O ' ' CB ' ' A' ' 6' ' ' SER . 76.5 t 64.74 129.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.417 ' CB ' ' O ' ' A' ' 5' ' ' VAL . 4.5 t 165.6 76.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.061 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.641 ' CA ' HD11 ' A' ' 166' ' ' LEU . 0.9 OUTLIER 172.9 117.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -122.6 -143.67 6.51 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.528 1.143 . . . . 0.0 111.042 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.9 m -136.9 -90.31 0.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 0.744 . . . . 0.0 109.991 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.481 ' O ' ' CE1' ' A' ' 172' ' ' HIS . . . 165.28 -85.43 0.1 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.503 HD23 ' H ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER 79.93 172.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 0.774 . . . . 0.0 109.288 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.503 ' H ' HD23 ' A' ' 11' ' ' LEU . . . 149.67 149.93 5.12 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.414 1.071 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 14' ' ' LYS . . . -160.58 -88.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.574 ' HG3' ' CE2' ' A' ' 183' ' ' PHE . 0.0 OUTLIER -39.46 130.11 1.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.285 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.599 ' O ' HD23 ' A' ' 19' ' ' LEU . 28.8 m170 -61.3 -51.06 70.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.598 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.509 HD12 ' HA ' ' A' ' 16' ' ' ILE . 6.6 tp -56.71 -46.22 82.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . 1.059 HG23 HD11 ' A' ' 178' ' ' ILE . 0.8 OUTLIER -53.62 -64.47 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.397 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.496 ' N ' HG22 ' A' ' 17' ' ' THR . 27.4 m-20 -48.88 -36.71 17.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.599 HD23 ' O ' ' A' ' 15' ' ' HIS . 2.3 mm? -60.8 -30.7 70.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.157 ' CD2' HD22 ' A' ' 90' ' ' LEU . 0.6 OUTLIER -65.1 -43.9 90.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.975 ' HB ' HG21 ' A' ' 175' ' ' VAL . 0.4 OUTLIER -58.08 -63.19 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.764 ' CD2' ' HA3' ' A' ' 39' ' ' GLY . 1.2 t80 -64.45 -29.49 70.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.521 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -72.17 -38.16 59.33 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.446 1.091 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 1.262 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 1.3 t80 -55.69 -56.5 19.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 0.756 . . . . 0.0 110.997 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 1.055 HD22 ' CE1' ' A' ' 171' ' ' PHE . 6.2 tp -57.02 -47.33 81.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.543 ' HG3' ' N ' ' A' ' 27' ' ' SER . 0.3 OUTLIER -55.34 -29.68 58.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.292 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.551 ' CB ' ' O ' ' A' ' 88' ' ' ARG . 8.4 t -50.89 -66.32 0.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.998 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.4 m -103.26 -40.68 6.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.995 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.626 ' N ' ' O ' ' A' ' 25' ' ' LEU . . . 87.67 89.7 1.07 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.509 1.131 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.585 ' HB2' HD11 ' A' ' 25' ' ' LEU . 0.5 OUTLIER -71.55 -59.64 2.65 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.791 HG22 ' H ' ' A' ' 34' ' ' GLU . 0.9 OUTLIER -145.0 121.59 11.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.407 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.54 -58.93 2.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.803 ' O ' HG23 ' A' ' 37' ' ' VAL . 2.6 tt0 -57.76 -24.68 58.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 1.004 ' HB3' HD21 ' A' ' 25' ' ' LEU . 1.9 tt0 -69.17 -64.4 0.88 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.95 ' CA ' HD23 ' A' ' 25' ' ' LEU . 0.6 OUTLIER -43.87 -40.14 4.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.475 ' O ' ' O ' ' A' ' 40' ' ' ARG . 25.4 tt0 -71.96 -43.12 65.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.272 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.803 HG23 ' O ' ' A' ' 33' ' ' GLN . 45.9 t -70.01 -57.17 8.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.006 HD21 ' HB2' ' A' ' 167' ' ' LEU . 0.4 OUTLIER -66.64 -42.42 86.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.764 ' HA3' ' CD2' ' A' ' 22' ' ' PHE . . . -48.22 -55.0 10.98 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.475 ' O ' ' O ' ' A' ' 36' ' ' GLU . 0.3 OUTLIER 171.55 172.55 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 0.759 . . . . 0.0 110.358 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.401 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -139.97 98.25 3.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.328 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.406 ' CD2' ' HD2' ' A' ' 40' ' ' ARG . 3.0 mm? -101.7 106.83 48.87 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.26 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 41' ' ' GLU . 18.3 Cg_endo -75.01 -163.94 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.473 1.775 . . . . 0.0 111.013 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 75.7 t -45.47 -85.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.02 171.24 0.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 110.285 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 47' ' ' TYR . . . -160.68 71.83 0.44 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.529 1.143 . . . . 0.0 109.35 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.493 ' O ' ' HB2' ' A' ' 48' ' ' TRP . 1.6 t80 -34.02 -61.18 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.493 ' HB2' ' O ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER 166.21 -54.27 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.676 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 1.6 pt-20 40.59 92.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.337 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.676 ' HB2' ' O ' ' A' ' 49' ' ' GLU . . . 164.72 -75.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.467 ' O ' ' C ' ' A' ' 52' ' ' LEU . 8.5 t0 67.11 121.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.467 ' C ' ' O ' ' A' ' 51' ' ' ASP . 3.6 mt -34.39 128.48 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -89.21 146.78 24.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.29 99.84 9.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -55.24 172.23 0.14 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.4 175.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.0 tp60 74.91 93.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.269 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.7 t -86.55 156.73 19.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 110.411 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.05 -52.9 1.86 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 145.31 109.09 0.61 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.53 1.144 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.6 p -160.38 153.83 22.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 0.792 . . . . 0.0 109.993 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -150.67 -59.99 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 56.12 166.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 171.01 136.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.003 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.52 ' O ' ' CB ' ' A' ' 66' ' ' SER . 11.5 mtp-105 -149.58 168.08 24.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.293 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 65' ' ' ARG . 0.4 OUTLIER 157.99 147.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.999 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -170.15 163.59 9.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 111.035 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 39.2 p-10 176.2 155.12 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.28 167.28 10.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 44.03 94.84 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.546 1.154 . . . . 0.0 111.036 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.93 90.28 8.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 0.772 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.8 mp -72.16 147.88 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -129.34 81.58 69.87 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 68.76 5.68 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.502 1.791 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.42 119.3 7.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.4 p -171.71 -59.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.006 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -172.1 -41.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.282 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.4 t 69.74 74.75 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.123 . . . . 0.0 109.986 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -160.55 -73.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -71.72 -15.78 62.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.31 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 62.1 122.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 110.266 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 43.8 mt -85.73 -41.97 15.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 1.012 ' O ' HG22 ' A' ' 86' ' ' ILE . 23.8 pt -53.46 -50.03 51.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.63 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 63.1 m80 -61.99 -40.33 95.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.58 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -55.25 -50.53 69.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 1.012 HG22 ' O ' ' A' ' 83' ' ' ILE . 7.7 tp -58.8 -33.6 49.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.844 ' HA ' HD23 ' A' ' 20' ' ' LEU . . . -56.45 -52.91 62.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.551 ' O ' ' CB ' ' A' ' 27' ' ' SER . 2.2 mtp180 -65.79 -52.01 54.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.333 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.992 ' O ' HG23 ' A' ' 93' ' ' ILE . 13.3 t-80 -50.4 -19.73 0.92 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.112 . . . . 0.0 109.635 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 1.157 HD22 ' CD2' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -56.13 -64.66 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 1.262 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -57.85 -49.14 77.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.4 -47.15 37.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.992 HG23 ' O ' ' A' ' 89' ' ' HIS . 3.0 pt -68.94 -22.83 26.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.564 ' O ' ' HG2' ' A' ' 97' ' ' MET . . . -58.95 -54.77 35.25 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.441 1.088 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -64.26 -43.41 94.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.435 ' O ' ' CB ' ' A' ' 99' ' ' HIS . 0.5 OUTLIER -63.56 -39.18 93.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.303 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.677 ' HE2' HG21 ' A' ' 101' ' ' ILE . 2.4 ptm -51.84 -42.24 62.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 111.033 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.522 ' N ' ' HG2' ' A' ' 97' ' ' MET . 1.4 p-10 -52.4 -20.65 2.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.472 ' N ' ' OD1' ' A' ' 98' ' ' ASP . 21.8 t-80 -58.96 -53.69 55.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.614 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 23.3 p-10 -147.14 87.87 1.7 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 1.033 HD11 HD13 ' A' ' 150' ' ' ILE . 0.2 OUTLIER -139.79 97.3 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.973 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 1.1 mt-30 161.07 48.13 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.266 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.973 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.2 Cg_endo -75.0 -22.51 14.73 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.527 1.804 . . . . 0.0 111.02 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.811 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 10.9 p -146.85 1.47 0.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.417 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.811 ' HB2' ' O ' ' A' ' 104' ' ' THR . 0.0 OUTLIER 106.5 44.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 1.042 HG12 ' CE2' ' A' ' 138' ' ' PHE . 0.0 OUTLIER -54.96 -85.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.89 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 28.3 ttp85 -53.32 -14.2 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.305 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.511 ' CB ' ' HB3' ' A' ' 105' ' ' LEU . 0.1 OUTLIER -64.97 -58.42 6.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 110.298 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 1.263 ' O ' ' CG ' ' A' ' 112' ' ' GLN . 3.3 pp -66.78 -54.77 19.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 1.152 ' N ' HD12 ' A' ' 109' ' ' LEU . . . -54.12 -20.52 6.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.247 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.89 ' HB2' ' O ' ' A' ' 107' ' ' ARG . . . -76.47 -41.26 47.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 1.263 ' CG ' ' O ' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -46.18 -58.78 3.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.354 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 1.197 ' CD2' ' HB2' ' A' ' 130' ' ' ALA . 0.7 OUTLIER -63.16 -40.04 96.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.668 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 11.4 tmm? -45.56 -23.62 0.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.996 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -136.75 83.48 2.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 92.72 134.09 6.63 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.496 1.123 . . . . 0.0 110.983 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.478 ' CB ' ' HB3' ' A' ' 126' ' ' CYS . 32.1 t -155.5 -72.16 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 0.779 . . . . 0.0 110.029 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.947 HD13 ' H ' ' A' ' 119' ' ' SER . 0.2 OUTLIER -77.84 -120.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.947 ' H ' HD13 ' A' ' 118' ' ' LEU . 22.1 m -161.9 89.96 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.031 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.603 ' O ' ' HB2' ' A' ' 121' ' ' GLU . 15.6 tt0 153.27 -22.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.278 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.603 ' HB2' ' O ' ' A' ' 120' ' ' GLU . 0.1 OUTLIER 157.66 4.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.513 ' O ' ' O ' ' A' ' 121' ' ' GLU . 0.0 OUTLIER 53.22 112.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.832 ' HE3' HD12 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -88.47 -153.56 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.901 ' HB2' HD11 ' A' ' 127' ' ' LEU . 0.0 OUTLIER -63.0 -6.23 3.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.32 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.604 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 29.2 t-20 -67.34 -41.23 85.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.639 ' O ' ' CG ' ' A' ' 113' ' ' PHE . 32.1 p -53.87 -55.74 24.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 108.301 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 1.039 HD13 ' HB2' ' A' ' 176' ' ' ASN . 0.0 OUTLIER -52.82 -72.53 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.565 ' O ' HD23 ' A' ' 131' ' ' LEU . . . -47.87 -26.78 1.81 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.616 ' HB2' ' O ' ' A' ' 126' ' ' CYS . 0.2 OUTLIER -59.73 -31.6 69.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.138 . . . . 0.0 109.319 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 1.197 ' HB2' ' CD2' ' A' ' 113' ' ' PHE . . . -72.38 -46.74 54.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.67 HD12 ' OD1' ' A' ' 181' ' ' ASN . 0.0 OUTLIER -40.28 -46.73 2.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.728 ' O ' ' HB ' ' A' ' 136' ' ' THR . 1.1 t70 -66.72 -51.31 57.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 109.267 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.692 ' O ' HG22 ' A' ' 136' ' ' THR . 0.3 OUTLIER -53.78 -62.92 1.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.266 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 1.037 HG23 ' CD2' ' A' ' 138' ' ' PHE . 0.1 OUTLIER -55.66 -38.67 51.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.568 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 0.6 OUTLIER -78.56 8.83 4.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.728 ' HB ' ' O ' ' A' ' 132' ' ' ASP . 0.6 OUTLIER -116.51 -18.59 10.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.396 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.795 ' HB3' ' CE1' ' A' ' 138' ' ' PHE . . . -109.48 -50.59 2.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 1.042 ' CE2' HG12 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -118.44 55.93 2.5 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 111.053 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.799 ' C ' ' HB2' ' A' ' 144' ' ' ASN . 18.4 Cg_endo -74.99 163.78 34.68 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.489 1.784 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.747 ' N ' ' CB ' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 156.87 -170.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.28 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 141' ' ' ASP . . . . . 0.641 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 40.9 m-20 -85.4 -103.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' MET . . . . . 0.526 ' CE ' HD23 ' A' ' 189' ' ' LEU . 21.5 mtp -67.45 -32.12 72.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.55 -61.78 1.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.331 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' ASN . . . . . 0.799 ' HB2' ' C ' ' A' ' 139' ' ' PRO . 1.3 t30 -66.33 -54.68 21.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.641 ' CB ' ' O ' ' A' ' 141' ' ' ASP . 31.0 m-20 -38.62 -54.29 1.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.095 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.78 -34.28 77.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.909 ' O ' HG22 ' A' ' 150' ' ' ILE . . . -60.15 -58.28 9.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 148' ' ' MET . . . . . 0.633 ' O ' ' HG3' ' A' ' 151' ' ' MET . 4.2 mtm -48.56 -53.1 19.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 111.019 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 1.034 HD21 HD21 ' A' ' 90' ' ' LEU . 0.2 OUTLIER -55.15 -43.38 74.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 1.033 HD13 HD11 ' A' ' 101' ' ' ILE . 1.6 tt -48.78 -31.05 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 151' ' ' MET . . . . . 1.059 ' O ' ' CD2' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -65.02 -56.51 12.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 152' ' ' THR . . . . . 0.939 HG21 ' HB2' ' A' ' 177' ' ' PHE . 65.6 p -41.47 -51.55 3.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.357 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 153' ' ' MET . . . . . 0.685 ' HE1' HD11 ' A' ' 93' ' ' ILE . 14.5 ptp -66.71 -26.58 67.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.992 ' C ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -61.4 -51.68 67.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 1.119 ' CB ' HG21 ' A' ' 173' ' ' THR . 0.0 OUTLIER -51.75 -52.29 49.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 1.018 ' HA ' HG22 ' A' ' 170' ' ' VAL . . . -60.82 -54.57 43.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.449 ' HB2' ' O ' ' A' ' 153' ' ' MET . 0.0 OUTLIER -45.03 -51.57 9.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 158' ' ' LYS . . . . . 0.86 ' O ' ' N ' ' A' ' 162' ' ' HIS . 29.4 mmmt -74.74 -54.29 7.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 159' ' ' VAL . . . . . 1.021 HG13 ' HB3' ' A' ' 163' ' ' ALA . 42.2 t -51.97 -56.85 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.352 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.703 ' N ' ' O ' ' A' ' 156' ' ' ALA . . . -33.58 -35.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.353 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 161' ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' ' 159' ' ' VAL . 0.4 OUTLIER -117.97 -13.25 10.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.014 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 162' ' ' HIS . . . . . 0.86 ' N ' ' O ' ' A' ' 158' ' ' LYS . 3.7 t-80 -95.06 -52.21 4.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.605 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 1.021 ' HB3' HG13 ' A' ' 159' ' ' VAL . . . -124.95 69.06 57.13 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 164' ' ' PRO . . . . . 0.475 ' HD3' ' C ' ' A' ' 162' ' ' HIS . 18.2 Cg_endo -75.03 3.68 5.42 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.456 1.766 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 89.9 p -95.64 3.07 54.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.019 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.641 HD11 ' CA ' ' A' ' 7' ' ' ASN . 0.6 OUTLIER -141.8 52.26 1.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 167' ' ' LEU . . . . . 1.006 ' HB2' HD21 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -52.11 -26.67 11.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 168' ' ' ARG . . . . . 0.69 ' H ' HD12 ' A' ' 167' ' ' LEU . 0.0 OUTLIER -62.67 -55.83 23.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 169' ' ' ASP . . . . . 0.705 ' O ' ' OG1' ' A' ' 173' ' ' THR . 1.4 t70 -56.29 -36.57 68.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 170' ' ' VAL . . . . . 1.018 HG22 ' HA ' ' A' ' 156' ' ' ALA . 0.9 OUTLIER -50.29 -63.96 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 171' ' ' PHE . . . . . 1.055 ' CE1' HD22 ' A' ' 25' ' ' LEU . 1.0 OUTLIER -56.6 -46.54 80.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 172' ' ' HIS . . . . . 0.556 ' O ' ' CB ' ' A' ' 176' ' ' ASN . 1.8 t60 -51.66 -42.83 62.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.604 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 173' ' ' THR . . . . . 1.119 HG21 ' CB ' ' A' ' 155' ' ' LEU . 1.3 m -53.91 -52.06 61.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.388 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 174' ' ' THR . . . . . 0.695 ' HA ' ' HB ' ' A' ' 152' ' ' THR . 13.5 p -56.31 -66.27 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.367 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 175' ' ' VAL . . . . . 1.04 ' HA ' HD12 ' A' ' 178' ' ' ILE . 4.0 t -74.94 14.84 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 176' ' ' ASN . . . . . 1.039 ' HB2' HD13 ' A' ' 127' ' ' LEU . 0.0 OUTLIER -78.65 -56.7 4.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 177' ' ' PHE . . . . . 1.051 ' O ' ' N ' ' A' ' 181' ' ' ASN . 8.3 m-30 -69.09 -62.49 1.36 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 178' ' ' ILE . . . . . 1.112 HD13 ' N ' ' A' ' 179' ' ' ASN . 0.0 OUTLIER -48.61 -25.79 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.14 . . . . 0.0 109.327 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 179' ' ' ASN . . . . . 1.112 ' N ' HD13 ' A' ' 178' ' ' ILE . 0.7 OUTLIER -65.73 -55.95 14.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -111.49 -10.26 14.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 1.051 ' N ' ' O ' ' A' ' 177' ' ' PHE . 60.9 t30 -97.76 -85.16 0.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 182' ' ' LEU . . . . . 0.672 HD23 ' HB2' ' A' ' 149' ' ' LEU . 0.2 OUTLIER -87.37 66.8 9.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 183' ' ' PHE . . . . . 0.574 ' CE2' ' HG3' ' A' ' 14' ' ' LYS . 7.6 t80 -51.42 -16.55 0.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 111.035 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 184' ' ' SER . . . . . 0.427 ' C ' ' N ' ' A' ' 186' ' ' VAL . 0.1 OUTLIER 173.43 39.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.017 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 185' ' ' TYR . . . . . 0.558 ' O ' ' CD1' ' A' ' 185' ' ' TYR . 1.5 t80 -42.3 -25.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.962 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 186' ' ' VAL . . . . . 0.923 HG21 HG21 ' A' ' 86' ' ' ILE . 53.8 t -61.03 -59.98 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.51 ' CG ' ' N ' ' A' ' 188' ' ' ASN . 0.0 OUTLIER -55.2 -43.1 74.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.307 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 188' ' ' ASN . . . . . 0.51 ' N ' ' CG ' ' A' ' 187' ' ' ARG . 0.7 OUTLIER -52.92 -47.16 68.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.753 HD13 ' N ' ' A' ' 190' ' ' VAL . 0.0 OUTLIER -57.12 -45.55 83.36 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.486 1.117 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 190' ' ' VAL . . . . . 0.753 ' N ' HD13 ' A' ' 189' ' ' LEU . 82.7 t -59.85 -44.35 94.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 3.0 mtt-85 -57.21 -45.65 83.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.329 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -55.09 -44.82 75.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 74.38 -63.76 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.356 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 194' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -74.71 146.64 42.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.6 ttm . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.525 0.203 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 22.2 p-10 -158.56 142.06 15.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 t 59.73 101.64 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.012 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -52.53 97.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.543 HG13 ' N ' ' A' ' 6' ' ' SER . 14.9 p -61.26 -53.82 43.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.543 ' N ' HG13 ' A' ' 5' ' ' VAL . 2.8 m 41.3 82.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.033 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.522 ' OD1' HG22 ' A' ' 5' ' ' VAL . 54.9 p30 176.76 -173.14 0.1 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -119.4 -82.88 0.8 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.4 m -119.64 -62.16 1.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 0.771 . . . . 0.0 109.972 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -98.32 -178.52 32.82 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.459 1.1 . . . . 0.0 110.966 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.75 80.66 8.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 0.789 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.72 48.22 0.34 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.466 1.103 . . . . 0.0 110.961 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.47 95.86 9.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 0.748 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.85 -36.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.458 ' CG ' ' N ' ' A' ' 16' ' ' ILE . 10.8 p-80 -55.32 -50.64 69.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 109.636 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.588 ' HB ' ' CE2' ' A' ' 183' ' ' PHE . 0.5 OUTLIER -57.45 -42.61 81.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . 1.068 HG22 HG13 ' A' ' 175' ' ' VAL . 89.4 m -53.88 -58.27 7.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.416 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -47.76 -36.82 12.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 23' ' ' GLY . 1.1 mm? -62.22 -32.47 73.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.088 HD21 HD22 ' A' ' 90' ' ' LEU . 1.5 tm? -63.47 -40.4 97.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 1.021 HG13 ' CD2' ' A' ' 171' ' ' PHE . 0.5 OUTLIER -62.01 -64.83 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.254 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.747 ' CD2' ' CA ' ' A' ' 39' ' ' GLY . 0.4 OUTLIER -63.03 -30.56 71.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 111.046 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -72.28 -40.19 55.97 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.522 1.139 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 1.23 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 1.4 t80 -55.05 -58.15 8.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 0.756 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 1.132 HD22 ' CE1' ' A' ' 171' ' ' PHE . 5.6 tp -55.15 -43.56 74.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? -58.89 -31.73 68.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.519 ' CB ' ' O ' ' A' ' 88' ' ' ARG . 1.5 t -47.02 -66.07 0.47 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.153 . . . . 0.0 109.962 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.38 -43.9 5.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.147 . . . . 0.0 109.935 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.571 ' N ' ' O ' ' A' ' 25' ' ' LEU . . . 94.65 85.07 1.65 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.661 ' CB ' HD11 ' A' ' 25' ' ' LEU . 3.4 t -66.84 -61.03 2.16 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.865 HG22 ' H ' ' A' ' 34' ' ' GLU . 1.0 OUTLIER -144.1 123.77 13.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.428 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.7 ttt-85 -45.1 -52.58 8.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.281 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -64.03 -26.51 68.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.349 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.881 ' CG ' HD23 ' A' ' 38' ' ' LEU . 44.5 tt0 -68.63 -63.31 1.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.328 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.926 ' CA ' HD23 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -47.29 -36.69 9.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.537 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 5.3 tt0 -70.51 -55.07 9.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.76 HG13 HD23 ' A' ' 167' ' ' LEU . 3.4 p -66.2 -52.39 48.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.171 ' HB3' ' CD2' ' A' ' 171' ' ' PHE . 0.1 OUTLIER -65.86 -47.0 76.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.254 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.747 ' CA ' ' CD2' ' A' ' 22' ' ' PHE . . . -62.53 -53.13 43.92 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.537 ' CB ' ' O ' ' A' ' 36' ' ' GLU . 1.0 OUTLIER -55.83 104.78 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 0.749 . . . . 0.0 110.271 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.415 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 1.1 mm-40 -142.1 133.33 26.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -101.65 106.41 46.35 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.415 ' HD3' ' O ' ' A' ' 41' ' ' GLU . 18.3 Cg_endo -74.98 -179.95 5.48 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.476 1.777 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.523 ' O ' ' CB ' ' A' ' 45' ' ' GLN . 17.9 t -41.32 -53.78 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.523 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 12.7 tt0 158.25 109.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.117 . . . . 0.0 110.325 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 47' ' ' TYR . . . -108.74 72.62 0.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.438 ' C ' ' O ' ' A' ' 46' ' ' ALA . 44.1 t80 -33.76 105.08 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 0.0 111.056 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.433 ' CE3' ' O ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER 167.16 144.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 108.018 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.721 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 0.7 OUTLIER -153.02 142.36 21.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 110.26 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.721 ' HB2' ' O ' ' A' ' 49' ' ' GLU . . . 160.93 -179.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.486 ' O ' ' C ' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -171.44 126.13 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.486 ' C ' ' O ' ' A' ' 51' ' ' ASP . 0.9 OUTLIER -34.17 144.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.41 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 2.9 pt-20 -148.15 157.35 43.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.41 ' CB ' ' O ' ' A' ' 53' ' ' GLU . 0.6 OUTLIER 161.93 173.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -166.02 -48.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.3 tp 73.12 156.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.2 140.01 11.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 110.296 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.7 t -153.53 158.79 41.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.397 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -156.76 171.3 20.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -135.1 -156.33 7.65 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.459 1.099 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 177.75 140.93 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 0.737 . . . . 0.0 110.008 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.46 166.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -169.55 169.01 9.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.47 -58.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.015 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.2 mtt-85 -129.26 170.56 13.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.578 1.174 . . . . 0.0 110.31 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.9 149.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.003 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.427 ' C ' ' CD1' ' A' ' 67' ' ' PHE . 10.0 p90 -95.32 167.57 11.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -125.69 167.29 15.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 61.66 135.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.319 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 147.72 79.85 0.03 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.472 1.107 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.539 ' O ' HG23 ' A' ' 72' ' ' ILE . 4.3 ptt180 -150.53 144.59 25.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 0.772 . . . . 0.0 110.277 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.539 HG23 ' O ' ' A' ' 71' ' ' ARG . 2.6 pp -156.31 147.98 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.62 121.13 45.18 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.317 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -63.18 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.535 1.808 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -180.0 123.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.4 m -160.56 99.01 1.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.987 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -109.82 111.19 22.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 110.267 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 43.7 p -135.5 104.58 5.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.013 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.18 151.69 26.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -79.89 53.71 1.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 110.29 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 175.58 143.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.327 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.7 mt -94.24 -36.61 7.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.642 ' O ' HG22 ' A' ' 86' ' ' ILE . 3.4 mt -53.7 -50.38 51.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.678 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 34.7 m-70 -61.25 -43.87 98.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.585 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.471 ' O ' ' CG ' ' A' ' 88' ' ' ARG . 0.3 OUTLIER -53.28 -48.77 68.03 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 1.011 HG21 HG21 ' A' ' 186' ' ' VAL . 1.4 tp -62.41 -31.12 50.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.743 ' HB1' ' HA ' ' A' ' 20' ' ' LEU . . . -54.9 -57.82 10.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.519 ' O ' ' CB ' ' A' ' 27' ' ' SER . 1.7 ptt85 -63.06 -39.26 94.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.252 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 1.043 ' O ' HG23 ' A' ' 93' ' ' ILE . 71.3 t60 -50.98 -26.49 6.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.606 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 1.088 HD22 HD21 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -52.44 -66.26 0.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 109.257 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 1.23 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -50.81 -45.52 59.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.647 ' HG3' ' N ' ' A' ' 93' ' ' ILE . 0.1 OUTLIER -51.19 -35.43 36.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 1.043 HG23 ' O ' ' A' ' 89' ' ' HIS . 0.5 OUTLIER -70.09 -30.28 43.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.586 ' HA2' ' HE2' ' A' ' 153' ' ' MET . . . -57.83 -51.41 58.29 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.49 1.119 . . . . 0.0 110.973 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -63.17 -51.46 66.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 0.758 . . . . 0.0 109.256 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.427 ' O ' ' CB ' ' A' ' 99' ' ' HIS . 2.4 mt-10 -62.71 -42.72 99.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.264 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.786 ' HG2' HD12 ' A' ' 93' ' ' ILE . 0.0 OUTLIER -51.99 -55.45 20.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.989 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 97' ' ' MET . 11.7 t0 -38.57 -30.65 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.466 ' N ' ' C ' ' A' ' 97' ' ' MET . 17.5 t-80 -55.03 -52.97 61.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.575 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 97' ' ' MET . 22.2 p-10 -149.65 88.73 1.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.707 HG22 ' O ' ' A' ' 101' ' ' ILE . 0.3 OUTLIER -134.8 92.33 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.239 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.885 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 0.0 OUTLIER 154.05 52.19 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.885 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.3 Cg_endo -75.03 34.5 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.51 1.795 . . . . 0.0 110.989 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.928 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 1.0 OUTLIER 149.08 2.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.381 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.928 ' HB2' ' O ' ' A' ' 104' ' ' THR . 0.1 OUTLIER 103.67 38.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 1.045 HG22 ' CD2' ' A' ' 138' ' ' PHE . 1.3 t -61.52 -80.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.871 ' N ' HG12 ' A' ' 106' ' ' VAL . 9.4 ptt85 -52.59 -19.61 2.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.313 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.711 ' HB3' HD23 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -66.35 -41.62 89.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 1.278 HD12 ' N ' ' A' ' 110' ' ' ALA . 0.2 OUTLIER -60.84 -61.18 2.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.152 . . . . 0.0 109.3 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 1.278 ' N ' HD12 ' A' ' 109' ' ' LEU . . . -48.77 -54.28 15.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.595 ' HB2' HD13 ' A' ' 154' ' ' LEU . . . -62.25 -17.13 57.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.244 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.839 ' CG ' ' O ' ' A' ' 109' ' ' LEU . 2.0 pt20 -60.45 -45.7 92.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 110.241 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 1.179 ' CD2' ' O ' ' A' ' 110' ' ' ALA . 2.8 p90 -63.27 -41.95 99.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.876 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 1.9 ttp -53.98 93.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.113 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -140.79 -57.39 0.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.248 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 176.98 86.13 0.06 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.468 1.105 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.509 ' O ' ' HB3' ' A' ' 118' ' ' LEU . 0.1 OUTLIER -155.67 45.73 0.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 0.753 . . . . 0.0 110.018 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.775 HD11 ' OD2' ' A' ' 169' ' ' ASP . 1.0 OUTLIER 179.49 93.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.282 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 120' ' ' GLU . 0.7 OUTLIER -108.02 149.21 28.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.009 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 119' ' ' SER . 0.2 OUTLIER 36.83 36.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.242 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.422 ' HG3' ' NH1' ' A' ' 168' ' ' ARG . 1.1 tm-20 66.83 72.97 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.528 ' HB3' ' CE ' ' A' ' 123' ' ' LYS . 24.2 t0 -94.44 -59.05 2.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.528 ' CE ' ' HB3' ' A' ' 122' ' ' ASP . 0.0 OUTLIER -162.7 153.23 16.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.103 . . . . 0.0 109.294 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.459 ' HD3' ' NE2' ' A' ' 172' ' ' HIS . 0.0 OUTLIER -107.69 30.92 5.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.561 ' O ' ' CB ' ' A' ' 129' ' ' LYS . 1.9 t-20 -61.89 -37.87 86.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.592 ' HB3' ' CD1' ' A' ' 113' ' ' PHE . 0.1 OUTLIER -51.97 -53.77 37.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 108.287 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.807 HD22 ' CD2' ' A' ' 155' ' ' LEU . 0.1 OUTLIER -60.94 -69.71 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.443 ' HA ' HD23 ' A' ' 131' ' ' LEU . . . -44.58 -32.84 1.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.561 ' CB ' ' O ' ' A' ' 125' ' ' ASN . 0.3 OUTLIER -61.93 -27.95 69.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 1.11 ' O ' HG12 ' A' ' 134' ' ' VAL . . . -69.46 -49.46 54.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.89 HD13 HD21 ' A' ' 182' ' ' LEU . 0.4 OUTLIER -44.75 -43.43 8.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.588 ' O ' ' HB ' ' A' ' 136' ' ' THR . 0.1 OUTLIER -63.36 -53.47 52.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.658 ' O ' HG22 ' A' ' 136' ' ' THR . 7.2 mm-40 -56.95 -61.73 2.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 110.318 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 1.11 HG12 ' O ' ' A' ' 130' ' ' ALA . 0.3 OUTLIER -53.1 -37.13 26.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.142 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.561 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 0.1 OUTLIER -78.63 4.67 12.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.658 HG22 ' O ' ' A' ' 133' ' ' GLU . 0.6 OUTLIER -117.18 -20.44 9.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.406 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.842 ' HB3' ' CE1' ' A' ' 138' ' ' PHE . . . -99.92 -52.48 3.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 1.168 ' CZ ' HD23 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -116.26 60.79 2.04 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.707 ' HD3' ' C ' ' A' ' 137' ' ' ALA . 18.3 Cg_endo -75.02 149.86 37.24 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.498 1.788 . . . . 0.0 111.003 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.787 ' N ' ' CB ' ' A' ' 144' ' ' ASN . 1.5 mtt85 164.51 -166.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 110.318 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' ASP . . . . . 0.666 ' O ' ' CG ' ' A' ' 145' ' ' ASP . 31.8 m-20 -87.22 -110.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' MET . . . . . 0.488 ' O ' ' HB2' ' A' ' 146' ' ' LYS . 0.3 OUTLIER -61.78 -31.97 72.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 111.011 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.14 -61.27 2.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.268 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 144' ' ' ASN . . . . . 0.787 ' CB ' ' N ' ' A' ' 140' ' ' ARG . 1.9 t-20 -69.82 -56.89 5.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.717 ' HA ' ' CE2' ' A' ' 185' ' ' TYR . 26.4 m-20 -37.7 -57.81 0.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 142' ' ' MET . 0.0 OUTLIER -65.08 -28.38 69.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.888 ' HA ' HD12 ' A' ' 150' ' ' ILE . . . -60.44 -58.67 7.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.24 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 148' ' ' MET . . . . . 0.783 ' HG3' ' N ' ' A' ' 149' ' ' LEU . 0.1 OUTLIER -52.84 -43.55 66.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.895 HD22 HD11 ' A' ' 90' ' ' LEU . 3.8 mt -57.02 -40.82 77.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.888 HD12 ' HA ' ' A' ' 147' ' ' ALA . 14.3 mt -56.71 -28.42 27.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 151' ' ' MET . . . . . 1.098 ' O ' ' HG ' ' A' ' 154' ' ' LEU . 3.7 mmm -62.47 -58.0 9.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 152' ' ' THR . . . . . 0.868 ' OG1' ' O ' ' A' ' 173' ' ' THR . 5.3 t -51.94 -41.45 62.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.398 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 153' ' ' MET . . . . . 0.818 ' CE ' HG23 ' A' ' 150' ' ' ILE . 6.3 tmm? -68.81 -28.25 66.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 111.018 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 1.098 ' HG ' ' O ' ' A' ' 151' ' ' MET . 2.2 pp -53.46 -55.58 24.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 1.241 ' O ' HG23 ' A' ' 159' ' ' VAL . 4.7 mp -50.5 -60.27 3.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.737 ' HA ' HG22 ' A' ' 170' ' ' VAL . . . -56.31 -54.68 42.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.788 ' HA ' ' CB ' ' A' ' 161' ' ' SER . 1.0 OUTLIER -44.76 -43.94 8.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 158' ' ' LYS . . . . . 0.716 ' O ' ' N ' ' A' ' 163' ' ' ALA . 0.4 OUTLIER -79.08 -39.59 33.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 159' ' ' VAL . . . . . 1.241 HG23 ' O ' ' A' ' 155' ' ' LEU . 19.6 t -71.5 -126.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.637 ' H ' HG12 ' A' ' 159' ' ' VAL . . . -31.48 -55.97 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 161' ' ' SER . . . . . 0.788 ' CB ' ' HA ' ' A' ' 157' ' ' LYS . 0.6 OUTLIER -55.95 -11.44 1.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 110.009 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 162' ' ' HIS . . . . . 0.909 ' N ' ' O ' ' A' ' 159' ' ' VAL . 0.1 OUTLIER -152.83 -51.81 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.624 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 1.09 ' N ' ' O ' ' A' ' 159' ' ' VAL . . . -114.99 87.98 16.27 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.355 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 164' ' ' PRO . . . . . 0.456 ' HA ' ' HA ' ' A' ' 160' ' ' ALA . 18.3 Cg_endo -75.02 63.38 6.01 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.508 1.794 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 165' ' ' SER . . . . . 0.418 ' C ' HD12 ' A' ' 166' ' ' LEU . 17.4 t -125.3 0.47 7.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.008 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.598 ' O ' ' N ' ' A' ' 170' ' ' VAL . 3.8 mp -143.69 58.34 1.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 167' ' ' LEU . . . . . 1.007 HD13 ' H ' ' A' ' 168' ' ' ARG . 0.0 OUTLIER -54.86 -51.88 64.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 168' ' ' ARG . . . . . 1.007 ' H ' HD13 ' A' ' 167' ' ' LEU . 0.4 OUTLIER -58.48 -50.28 74.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 169' ' ' ASP . . . . . 0.775 ' OD2' HD11 ' A' ' 118' ' ' LEU . 0.8 OUTLIER -66.47 -34.29 77.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 109.289 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 170' ' ' VAL . . . . . 0.748 HG12 ' N ' ' A' ' 171' ' ' PHE . 1.0 OUTLIER -49.94 -68.51 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 171' ' ' PHE . . . . . 1.171 ' CD2' ' HB3' ' A' ' 38' ' ' LEU . 1.6 m-85 -59.87 -49.59 77.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 172' ' ' HIS . . . . . 0.459 ' NE2' ' HD3' ' A' ' 124' ' ' ARG . 42.1 t60 -50.4 -33.68 21.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.553 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 173' ' ' THR . . . . . 1.037 HG21 ' HB2' ' A' ' 155' ' ' LEU . 89.0 m -66.18 -61.02 2.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.382 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 174' ' ' THR . . . . . 0.752 ' HA ' HG23 ' A' ' 152' ' ' THR . 17.0 p -47.57 -59.74 3.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.438 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 175' ' ' VAL . . . . . 1.068 HG13 HG22 ' A' ' 17' ' ' THR . 3.0 t -76.74 12.6 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 176' ' ' ASN . . . . . 0.897 ' HB3' ' O ' ' A' ' 173' ' ' THR . 0.1 OUTLIER -80.22 -52.03 8.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 177' ' ' PHE . . . . . 0.746 ' CZ ' ' N ' ' A' ' 131' ' ' LEU . 1.8 m-30 -61.68 -52.61 63.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 178' ' ' ILE . . . . . 0.887 ' CG1' HG23 ' A' ' 17' ' ' THR . 0.0 OUTLIER -62.5 -43.01 97.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 179' ' ' ASN . . . . . 0.698 ' CA ' HG21 ' A' ' 17' ' ' THR . 3.0 t-20 -54.98 -39.42 68.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 180' ' ' GLN . . . . . 0.462 ' O ' ' O ' ' A' ' 179' ' ' ASN . 20.4 tp60 -49.55 -103.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 110.317 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.548 ' C ' HD13 ' A' ' 182' ' ' LEU . 14.5 t-20 -126.02 -4.04 6.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 182' ' ' LEU . . . . . 0.89 HD21 HD13 ' A' ' 131' ' ' LEU . 0.2 OUTLIER -97.03 39.97 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 183' ' ' PHE . . . . . 0.588 ' CE2' ' HB ' ' A' ' 16' ' ' ILE . 0.7 OUTLIER -28.99 -39.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 0.0 111.008 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 184' ' ' SER . . . . . 0.527 ' N ' ' O ' ' A' ' 182' ' ' LEU . 23.1 t -170.95 108.14 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.031 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 185' ' ' TYR . . . . . 0.717 ' CE2' ' HA ' ' A' ' 145' ' ' ASP . 0.0 OUTLIER -80.58 -32.47 36.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.97 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 186' ' ' VAL . . . . . 1.011 HG21 HG21 ' A' ' 86' ' ' ILE . 15.5 m -56.99 -59.3 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.597 ' H ' HG23 ' A' ' 186' ' ' VAL . 0.0 OUTLIER -60.5 -42.5 96.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 110.247 -179.919 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 188' ' ' ASN . . . . . 0.577 ' N ' ' CD ' ' A' ' 187' ' ' ARG . 23.4 t-20 -53.98 -45.34 71.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.649 HD13 ' HB3' ' A' ' 141' ' ' ASP . 45.0 tp -57.54 -47.66 81.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 92.8 t -55.7 -45.29 79.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.26 -47.31 78.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.28 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -55.22 -48.14 74.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.97 109.99 14.94 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 194' ' ' MET . . . . . 0.406 ' HG3' ' N ' ' A' ' 195' ' ' ASP . 9.8 ptt? -176.91 -38.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.951 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 195' ' ' ASP . . . . . 0.406 ' N ' ' HG3' ' A' ' 194' ' ' MET . 33.7 t70 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.414 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.491 0.186 . . . . 0.0 111.04 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 171.13 172.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 77.15 154.78 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 109.991 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -164.12 171.58 14.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.348 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.8 p -87.49 142.83 12.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 t -177.44 156.1 1.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 110.012 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.1 t30 72.46 164.84 0.29 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.253 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 153.61 72.72 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.111 . . . . 0.0 110.986 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.22 171.75 14.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 0.763 . . . . 0.0 110.003 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 151.61 76.49 0.02 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.46 HD13 ' HA ' ' A' ' 11' ' ' LEU . 2.0 mm? -74.42 153.56 39.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 0.766 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 135.18 154.92 7.19 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.542 1.151 . . . . 0.0 110.981 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.21 177.41 8.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 0.766 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.504 ' HB2' ' CD1' ' A' ' 183' ' ' PHE . 0.3 OUTLIER -152.78 141.0 20.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.423 ' C ' ' N ' ' A' ' 17' ' ' THR . 0.1 OUTLIER -56.57 -38.57 72.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 0.0 109.618 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.637 HG21 ' CG2' ' A' ' 83' ' ' ILE . 3.3 mm -53.13 -17.62 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . 1.124 HG23 HD11 ' A' ' 178' ' ' ILE . 28.6 m -54.97 -62.67 1.51 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.4 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.42 -37.45 37.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 1.1 mm? -59.44 -32.52 70.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.102 ' CD2' HD22 ' A' ' 90' ' ' LEU . 1.2 tm? -63.55 -45.63 89.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.979 ' HB ' HG21 ' A' ' 175' ' ' VAL . 0.4 OUTLIER -63.28 -61.38 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.962 ' O ' HD23 ' A' ' 35' ' ' LEU . 6.2 t80 -58.07 -36.14 72.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 111.022 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -75.93 -34.08 48.78 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.504 1.127 . . . . 0.0 111.031 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 1.172 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 2.0 t80 -53.83 -58.47 7.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 0.782 . . . . 0.0 111.031 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.803 HD22 ' CE1' ' A' ' 171' ' ' PHE . 0.4 OUTLIER -56.68 -44.05 81.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -53.75 -32.51 52.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.272 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.548 ' HB3' ' HB3' ' A' ' 91' ' ' ALA . 29.0 t -66.71 -96.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.983 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.2 t -140.86 17.56 2.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.987 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.537 ' HA3' ' CE1' ' A' ' 24' ' ' PHE . . . -55.25 -108.54 0.01 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.479 1.112 . . . . 0.0 111.049 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.401 ' SG ' ' CD ' ' A' ' 34' ' ' GLU . 43.1 t -86.84 -89.69 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.226 -1.028 . . . . 0.0 108.226 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 34' ' ' GLU . 0.4 OUTLIER -144.42 149.13 35.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.425 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -43.11 -58.74 2.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.306 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.432 ' O ' ' HB ' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -55.61 -25.58 39.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.735 ' C ' HD23 ' A' ' 25' ' ' LEU . 1.8 tp10 -65.7 -57.01 9.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 1.001 HD13 ' N ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -42.78 -39.95 2.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 1.001 ' N ' HD13 ' A' ' 35' ' ' LEU . 39.6 tt0 -80.65 -31.42 36.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.234 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.651 HG13 ' CD2' ' A' ' 167' ' ' LEU . 0.4 OUTLIER -65.68 -59.32 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.006 HD22 ' C ' ' A' ' 167' ' ' LEU . 37.6 mt -62.9 -46.08 89.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.09 . . . . 0.0 109.253 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.712 ' HA3' ' CE1' ' A' ' 22' ' ' PHE . . . -48.12 -42.33 23.76 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.489 1.118 . . . . 0.0 110.956 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 175.6 128.37 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 0.777 . . . . 0.0 110.341 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.39 124.19 17.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.532 HD12 ' CD ' ' A' ' 45' ' ' GLN . 2.9 mm? -99.96 125.3 40.59 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 178.39 7.34 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.491 1.785 . . . . 0.0 111.008 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.438 ' O ' ' HB3' ' A' ' 45' ' ' GLN . 38.7 t -42.42 101.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.532 ' CD ' HD12 ' A' ' 42' ' ' LEU . 0.0 OUTLIER 177.57 42.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 47' ' ' TYR . . . -160.1 122.38 3.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.615 ' O ' ' CB ' ' A' ' 48' ' ' TRP . 22.6 t80 -32.34 116.8 0.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 111.017 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.615 ' CB ' ' O ' ' A' ' 47' ' ' TYR . 3.6 t-105 152.2 167.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.541 ' N ' ' CG ' ' A' ' 48' ' ' TRP . 5.4 pm0 -157.33 122.93 4.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 110.282 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -38.94 149.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.436 ' OD1' ' CH2' ' A' ' 48' ' ' TRP . 5.7 p-10 -170.58 140.48 1.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER 178.82 155.44 0.44 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 75.41 145.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -164.72 167.85 18.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 109.278 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -93.51 -52.82 4.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.317 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.4 tt -162.47 -60.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.5 158.47 21.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.453 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -153.62 -51.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.395 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.453 ' CB ' ' O ' ' A' ' 58' ' ' THR . 0.4 OUTLIER 78.23 -57.2 0.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.269 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -162.9 -46.85 0.02 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.6 m -53.48 -179.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 0.786 . . . . 0.0 109.985 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? 61.58 126.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.083 . . . . 0.0 110.279 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -150.97 -58.44 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.34 -168.93 0.16 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.113 . . . . 0.0 109.974 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.536 ' O ' ' CB ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -97.33 179.8 4.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.536 ' CB ' ' O ' ' A' ' 65' ' ' ARG . 0.5 OUTLIER 155.96 150.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.986 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -139.14 50.06 1.82 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -105.43 175.74 5.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -153.11 -174.6 5.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -135.33 164.67 24.83 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.449 1.093 . . . . 0.0 110.967 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -147.66 98.71 3.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 0.795 . . . . 0.0 110.29 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 10.7 pt -110.45 -35.64 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -141.83 94.07 7.37 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.283 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 56.01 4.12 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.537 1.809 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.509 ' O ' ' CB ' ' A' ' 76' ' ' SER . 0.4 OUTLIER 47.88 -172.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 75' ' ' ASP . 1.2 m 158.9 166.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.974 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.459 ' O ' ' CB ' ' A' ' 78' ' ' SER . 0.0 OUTLIER 81.1 -65.65 0.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 110.255 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 77' ' ' GLU . 0.3 OUTLIER 82.7 31.42 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.005 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.501 ' O ' ' CB ' ' A' ' 80' ' ' GLU . 1.3 tp-100 83.2 -73.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.249 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.501 ' CB ' ' O ' ' A' ' 79' ' ' GLN . 0.1 OUTLIER 160.5 98.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 177.84 163.76 0.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 8.7 mt -98.7 -28.0 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.637 ' CG2' HG21 ' A' ' 16' ' ' ILE . 32.3 mm -54.12 -57.87 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 59.4 m80 -54.88 -37.69 66.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.604 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -53.31 -45.39 68.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.517 HG21 ' OD1' ' A' ' 188' ' ' ASN . 1.3 tp -61.41 -42.61 94.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.249 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.936 ' HA ' HD23 ' A' ' 20' ' ' LEU . . . -54.17 -42.34 69.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.546 ' CG ' ' HB2' ' A' ' 27' ' ' SER . 20.4 ttt180 -64.84 -54.12 35.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.562 ' CE1' HD12 ' A' ' 93' ' ' ILE . 17.6 t60 -57.92 -15.31 8.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.561 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 1.102 HD22 ' CD2' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -61.67 -67.7 0.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 1.172 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -52.37 -48.94 65.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -50.47 -35.94 31.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.239 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 1.029 HG22 ' O ' ' A' ' 90' ' ' LEU . 0.1 OUTLIER -68.93 -29.73 44.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.498 ' HA2' ' CE ' ' A' ' 97' ' ' MET . . . -59.58 -55.39 30.82 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.463 1.102 . . . . 0.0 111.027 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.47 ' HA ' ' CE ' ' A' ' 157' ' ' LYS . 63.3 t0 -60.92 -43.19 98.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 0.752 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -39.06 92.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.632 ' CG ' ' N ' ' A' ' 98' ' ' ASP . 0.1 OUTLIER -51.02 -50.72 58.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.958 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.632 ' N ' ' CG ' ' A' ' 97' ' ' MET . 0.4 OUTLIER -38.23 -29.72 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.489 ' N ' ' O ' ' A' ' 97' ' ' MET . 66.2 t60 -42.83 -69.26 0.14 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.583 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -148.96 90.37 1.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 1.038 HG22 ' HB3' ' A' ' 107' ' ' ARG . 7.3 mm -131.64 89.93 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.577 1.173 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.788 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 0.0 OUTLIER 157.34 54.96 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.285 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.788 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.3 Cg_endo -75.03 -19.73 17.48 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.499 1.789 . . . . 0.0 111.015 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.704 ' O ' ' CB ' ' A' ' 105' ' ' LEU . 8.8 t -147.32 6.85 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 110.349 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.704 ' CB ' ' O ' ' A' ' 104' ' ' THR . 12.1 tp 106.55 29.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 1.081 HG22 ' CE2' ' A' ' 138' ' ' PHE . 1.0 OUTLIER -59.14 -72.14 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 1.038 ' HB3' HG22 ' A' ' 101' ' ' ILE . 0.0 OUTLIER -52.73 -37.31 59.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 110.316 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.55 ' CB ' ' CD1' ' A' ' 105' ' ' LEU . 4.0 mm-40 -64.53 -27.22 68.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.318 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 1.063 HD21 ' HB2' ' A' ' 133' ' ' GLU . 0.7 OUTLIER -64.24 -73.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 1.007 ' O ' ' CD2' ' A' ' 113' ' ' PHE . . . -54.78 -39.33 68.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 107' ' ' ARG . . . -63.37 -22.06 66.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.983 ' CD ' ' O ' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -57.32 -50.25 73.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 110.265 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 1.215 ' CD2' ' HB2' ' A' ' 130' ' ' ALA . 1.8 p90 -66.53 -42.75 86.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.157 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.778 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 8.9 tmm? -60.47 62.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.624 ' N ' ' O ' ' A' ' 113' ' ' PHE . 12.6 t30 -143.09 153.85 43.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 83.61 -163.15 40.27 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.472 1.107 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.481 ' O ' ' C ' ' A' ' 118' ' ' LEU . 5.6 m -158.56 76.08 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.777 . . . . 0.0 110.0 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.577 HD12 ' CE ' ' A' ' 123' ' ' LYS . 1.5 mp -34.13 -68.83 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.612 ' C ' ' H ' ' A' ' 121' ' ' GLU . 0.6 OUTLIER -145.28 63.38 1.28 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 110.048 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.587 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 8.0 pt-20 49.68 6.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.336 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.612 ' H ' ' C ' ' A' ' 119' ' ' SER . 14.6 tt0 153.57 88.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.276 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -160.24 25.92 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.577 ' CE ' HD12 ' A' ' 118' ' ' LEU . 0.1 OUTLIER -70.97 -112.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.86 ' HA ' HD11 ' A' ' 127' ' ' LEU . 0.0 OUTLIER 72.77 -56.55 0.65 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 110.277 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.413 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 3.8 t-20 -68.26 -39.42 82.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.448 ' CB ' ' CD1' ' A' ' 113' ' ' PHE . 3.1 m -54.74 -57.01 13.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 108.309 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 1.068 HD13 ' HA ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -53.37 -65.18 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.338 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.627 ' HB2' ' OD1' ' A' ' 176' ' ' ASN . . . -46.13 -39.32 9.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.526 ' O ' ' CD ' ' A' ' 133' ' ' GLU . 7.3 mttt -65.38 -23.71 67.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.347 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 1.215 ' HB2' ' CD2' ' A' ' 113' ' ' PHE . . . -71.22 -38.83 71.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.347 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.772 ' O ' ' HB3' ' A' ' 135' ' ' LYS . 0.0 OUTLIER -55.59 -41.97 74.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.572 ' N ' HD23 ' A' ' 131' ' ' LEU . 1.5 m-20 -61.67 -61.73 2.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 1.063 ' HB2' HD21 ' A' ' 109' ' ' LEU . 0.5 OUTLIER -52.8 -60.37 3.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.27 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 1.137 HG12 ' O ' ' A' ' 130' ' ' ALA . 11.5 p -55.04 -42.52 65.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.772 ' HB3' ' O ' ' A' ' 131' ' ' LEU . 0.2 OUTLIER -87.29 25.14 1.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.821 HG22 ' HA ' ' A' ' 133' ' ' GLU . 1.9 t -160.78 24.71 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.386 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.537 ' C ' ' HD3' ' A' ' 139' ' ' PRO . . . -134.09 -56.0 0.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 1.122 ' CE2' HG23 ' A' ' 134' ' ' VAL . 2.1 p90 -130.63 47.19 2.67 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.981 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.7 ' HD3' ' N ' ' A' ' 138' ' ' PHE . 18.2 Cg_endo -75.02 170.05 21.28 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.533 1.807 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.782 ' HB2' ' CG ' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 175.6 -97.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.304 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 141' ' ' ASP . . . . . 0.584 ' O ' ' N ' ' A' ' 145' ' ' ASP . 1.1 m-20 -135.75 -145.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' MET . . . . . 0.646 ' O ' ' CB ' ' A' ' 146' ' ' LYS . 1.7 tmt? -51.71 -31.47 26.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 111.035 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -67.91 -62.95 1.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' ASN . . . . . 0.782 ' CG ' ' HB2' ' A' ' 140' ' ' ARG . 1.0 OUTLIER -73.96 -57.7 3.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.274 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.631 ' CG ' ' CE1' ' A' ' 185' ' ' TYR . 9.4 t0 -40.24 -54.83 2.29 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.646 ' CB ' ' O ' ' A' ' 142' ' ' MET . 0.6 OUTLIER -53.89 -28.87 39.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.807 ' O ' HG22 ' A' ' 150' ' ' ILE . . . -53.27 -52.24 59.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 148' ' ' MET . . . . . 0.661 ' HG2' HG13 ' A' ' 134' ' ' VAL . 1.4 mtp -53.37 -54.19 40.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.538 ' O ' ' SD ' ' A' ' 153' ' ' MET . 3.5 tp -57.99 -45.07 87.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.807 HG22 ' O ' ' A' ' 147' ' ' ALA . 0.7 OUTLIER -54.6 -29.07 20.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 151' ' ' MET . . . . . 0.975 ' HA ' HD23 ' A' ' 154' ' ' LEU . 1.9 mmt -58.51 -52.62 64.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 111.049 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 152' ' ' THR . . . . . 0.913 HG23 ' HA ' ' A' ' 174' ' ' THR . 0.5 OUTLIER -46.1 -47.2 17.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.394 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 153' ' ' MET . . . . . 0.611 ' O ' ' CB ' ' A' ' 157' ' ' LYS . 1.8 mpt? -71.13 -20.42 62.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.975 HD23 ' HA ' ' A' ' 151' ' ' MET . 0.5 OUTLIER -61.57 -52.72 63.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.362 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 1.083 HD23 HG22 ' A' ' 173' ' ' THR . 0.0 OUTLIER -54.04 -55.47 27.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 1.057 ' O ' ' O ' ' A' ' 159' ' ' VAL . . . -64.17 -52.74 57.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.611 ' CB ' ' O ' ' A' ' 153' ' ' MET . 39.3 tptt -45.43 -50.85 12.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 158' ' ' LYS . . . . . 0.894 ' O ' ' N ' ' A' ' 163' ' ' ALA . 51.6 mmtt -77.49 -52.21 9.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 159' ' ' VAL . . . . . 1.057 ' O ' ' O ' ' A' ' 156' ' ' ALA . 23.0 t -91.19 152.06 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 1.118 ' CB ' HG11 ' A' ' 170' ' ' VAL . . . 69.08 -49.46 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 161' ' ' SER . . . . . 0.479 ' H ' ' C ' ' A' ' 159' ' ' VAL . 0.1 OUTLIER -91.35 -9.38 45.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.043 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 162' ' ' HIS . . . . . 0.578 ' CB ' ' O ' ' A' ' 158' ' ' LYS . 0.5 OUTLIER -152.62 -36.83 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.57 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 0.894 ' N ' ' O ' ' A' ' 158' ' ' LYS . . . -117.13 96.86 49.95 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 55.81 4.03 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.494 1.786 . . . . 0.0 111.026 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 165' ' ' SER . . . . . 0.593 ' OG ' HD12 ' A' ' 166' ' ' LEU . 7.3 p -109.42 -14.48 14.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.96 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.831 HD13 HG11 ' A' ' 159' ' ' VAL . 3.5 mp -143.43 132.93 23.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 167' ' ' LEU . . . . . 1.006 ' C ' HD22 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -100.36 -91.22 0.31 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 168' ' ' ARG . . . . . 0.466 ' N ' HD22 ' A' ' 38' ' ' LEU . 18.6 ptt180 -56.63 -34.84 67.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.281 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.91 -45.78 93.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 170' ' ' VAL . . . . . 1.118 HG11 ' CB ' ' A' ' 160' ' ' ALA . 0.4 OUTLIER -56.25 -49.54 75.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 171' ' ' PHE . . . . . 1.0 ' CD2' ' HB2' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -62.2 -54.53 39.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 0.0 111.025 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 172' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -57.17 -22.62 41.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.656 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 173' ' ' THR . . . . . 1.083 HG22 HD23 ' A' ' 155' ' ' LEU . 4.5 m -66.31 -49.13 68.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.46 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 174' ' ' THR . . . . . 0.97 HG23 ' O ' ' A' ' 171' ' ' PHE . 0.6 OUTLIER -60.55 -52.07 66.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.392 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 175' ' ' VAL . . . . . 0.993 ' HA ' HD12 ' A' ' 178' ' ' ILE . 1.1 t -72.63 1.1 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 176' ' ' ASN . . . . . 0.831 ' HB3' ' O ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -78.03 -59.08 2.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 177' ' ' PHE . . . . . 0.788 ' CZ ' ' HB2' ' A' ' 151' ' ' MET . 1.0 OUTLIER -53.93 -56.71 15.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 111.012 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 178' ' ' ILE . . . . . 1.124 HD11 HG23 ' A' ' 17' ' ' THR . 0.0 OUTLIER -55.92 -38.87 54.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 179' ' ' ASN . . . . . 1.004 ' N ' HD13 ' A' ' 178' ' ' ILE . 7.1 t30 -67.12 -40.36 86.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 180' ' ' GLN . . . . . 0.592 ' HG3' ' HB1' ' A' ' 128' ' ' ALA . 12.9 mm100 -82.91 -10.43 58.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.31 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.517 ' N ' ' O ' ' A' ' 177' ' ' PHE . 21.8 t30 -95.84 -152.18 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 182' ' ' LEU . . . . . 0.606 ' O ' ' N ' ' A' ' 184' ' ' SER . 0.0 OUTLIER -92.0 36.55 0.97 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.137 . . . . 0.0 109.296 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 183' ' ' PHE . . . . . 0.808 ' O ' ' CG ' ' A' ' 183' ' ' PHE . 5.8 t80 32.4 30.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 184' ' ' SER . . . . . 0.606 ' CB ' ' O ' ' A' ' 183' ' ' PHE . 1.1 m 150.91 90.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.995 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 185' ' ' TYR . . . . . 1.002 ' CE1' HG22 ' A' ' 186' ' ' VAL . 8.2 t80 -41.48 155.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.58 1.175 . . . . 0.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 186' ' ' VAL . . . . . 1.002 HG22 ' CE1' ' A' ' 185' ' ' TYR . 3.3 m -38.84 -35.07 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.587 ' HB2' ' CE2' ' A' ' 185' ' ' TYR . 10.5 ttt85 -58.84 -52.56 65.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.352 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 188' ' ' ASN . . . . . 0.517 ' OD1' HG21 ' A' ' 86' ' ' ILE . 3.3 m-80 -55.4 -43.79 75.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.98 -45.13 67.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 65.7 t -57.31 -47.66 84.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.88 -44.14 77.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.263 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 19.6 t30 -55.36 -49.78 71.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 59.52 -171.18 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.33 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 194' ' ' MET . . . . . . . . . . . . . 6.5 ptm -157.62 146.85 19.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.473 0.178 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -160.19 160.15 32.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 169.67 158.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.995 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.625 ' O ' HG22 ' A' ' 5' ' ' VAL . 0.0 OUTLIER 179.84 -66.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.315 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.625 HG22 ' O ' ' A' ' 4' ' ' GLU . 16.2 m 47.59 -169.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.9 p -172.95 -175.15 1.18 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 109.988 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -173.53 160.2 3.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -119.37 -158.98 10.84 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.439 1.087 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.83 -80.96 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 0.0 109.957 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.85 172.21 18.48 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.536 1.147 . . . . 0.0 111.022 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -147.91 -172.16 3.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 0.755 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.671 ' O ' ' HB2' ' A' ' 13' ' ' ALA . . . 130.88 177.91 15.15 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.671 ' HB2' ' O ' ' A' ' 12' ' ' GLY . . . 164.72 159.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.52 134.49 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 28.7 p-80 -59.73 -45.21 92.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.573 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.788 HG23 HD12 ' A' ' 83' ' ' ILE . 2.8 mm -55.0 -40.59 54.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.974 HG22 HG13 ' A' ' 175' ' ' VAL . 6.7 m -54.2 -61.16 2.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 110.388 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -46.05 -35.75 5.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.3 OUTLIER -61.94 -33.22 73.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.009 HD21 HD22 ' A' ' 90' ' ' LEU . 0.4 OUTLIER -64.8 -42.6 94.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 109.269 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.983 ' HB ' HG21 ' A' ' 175' ' ' VAL . 0.5 OUTLIER -62.3 -65.19 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.861 ' CD2' ' HA3' ' A' ' 39' ' ' GLY . 2.7 t80 -62.56 -33.52 75.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -72.67 -37.29 57.82 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.542 1.151 . . . . 0.0 111.025 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 1.226 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 3.1 t80 -53.36 -57.45 10.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 0.77 . . . . 0.0 110.96 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 1.114 HD22 ' CE1' ' A' ' 171' ' ' PHE . 0.2 OUTLIER -57.91 -39.81 78.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.568 ' CB ' HD13 ' A' ' 35' ' ' LEU . 4.9 tt0 -55.31 -35.09 64.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.345 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.577 ' CB ' ' O ' ' A' ' 88' ' ' ARG . 1.9 t -66.2 -97.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 110.05 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.48 ' N ' ' OG ' ' A' ' 27' ' ' SER . 0.2 OUTLIER -139.46 19.98 2.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.495 ' HA3' ' CE1' ' A' ' 24' ' ' PHE . . . -55.68 -107.81 0.01 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.507 ' H ' HD12 ' A' ' 25' ' ' LEU . 49.1 t -89.32 -93.52 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 34' ' ' GLU . 5.3 p -144.63 152.38 40.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.37 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.564 ' O ' HD23 ' A' ' 35' ' ' LEU . 0.4 OUTLIER -42.0 -61.42 1.14 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.256 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.492 ' O ' ' HB ' ' A' ' 37' ' ' VAL . 2.6 tt0 -51.69 -25.81 8.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.138 . . . . 0.0 110.257 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.682 ' C ' HD23 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -68.09 -54.52 17.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.801 ' HG ' ' CE1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -42.96 -39.85 2.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.508 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 0.4 OUTLIER -82.82 -32.88 27.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.774 HG12 HD22 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -62.22 -57.71 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.08 ' CD2' ' HB2' ' A' ' 167' ' ' LEU . 0.3 OUTLIER -79.28 -38.74 34.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.861 ' HA3' ' CD2' ' A' ' 22' ' ' PHE . . . -47.45 -50.6 17.84 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.457 1.098 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.48 ' O ' ' O ' ' A' ' 36' ' ' GLU . 1.5 ttp180 174.1 -150.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 0.756 . . . . 0.0 110.3 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -136.22 97.93 3.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.331 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.437 HD13 ' HD2' ' A' ' 43' ' ' PRO . 2.8 mm? -98.94 135.53 20.87 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.437 ' HD2' HD13 ' A' ' 42' ' ' LEU . 18.4 Cg_endo -74.99 161.12 39.32 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.46 1.768 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.47 ' O ' ' CB ' ' A' ' 45' ' ' GLN . 37.5 t -40.98 109.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.47 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 2.9 mt-30 163.17 162.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 47' ' ' TYR . . . -127.05 67.5 1.27 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.443 ' C ' ' O ' ' A' ' 46' ' ' ALA . 11.5 t80 -33.66 -64.27 0.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 79.5 168.47 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 108.022 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.707 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 9.1 tp10 -134.36 -57.43 0.85 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.707 ' HB2' ' O ' ' A' ' 49' ' ' GLU . . . 161.86 179.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.402 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 22.5 t70 -170.73 141.32 1.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER 179.2 154.09 0.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 70.51 133.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.323 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -159.38 162.79 35.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -112.02 169.43 8.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.688 HD23 ' OG1' ' A' ' 58' ' ' THR . 0.2 OUTLIER -157.12 -62.65 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 39.43 46.27 1.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.688 ' OG1' HD23 ' A' ' 56' ' ' LEU . 0.9 OUTLIER -109.38 147.4 32.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.388 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -177.39 -75.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.112 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' A' ' 62' ' ' GLN . . . 47.36 65.16 2.46 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.2 t 68.56 -66.94 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 0.763 . . . . 0.0 109.996 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 60' ' ' GLY . 3.7 pt20 -149.32 162.49 39.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.259 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.07 -72.26 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 51.81 176.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.048 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.0 mmm-85 -107.43 -76.32 0.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.2 t 49.99 96.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.982 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -87.89 -65.46 1.01 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 42.45 68.97 0.42 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.331 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.76 171.75 11.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 110.25 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -140.3 -48.49 0.05 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.453 1.096 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.14 80.68 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 0.767 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.5 pt -116.31 164.44 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -86.8 148.13 45.08 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -170.74 0.82 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.527 1.804 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -136.35 166.78 22.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 78.2 p -126.93 165.47 19.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.996 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -95.4 -57.75 2.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.275 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.34 -164.25 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.969 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.493 ' O ' ' CG ' ' A' ' 80' ' ' GLU . 5.2 mm-40 63.38 135.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.315 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 79' ' ' GLN . 0.4 OUTLIER 162.96 -76.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 110.277 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.425 ' O ' ' HB2' ' A' ' 85' ' ' ASN . 1.6 mp0 -89.3 -172.15 3.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.618 HG22 ' N ' ' A' ' 83' ' ' ILE . 37.0 mm -103.24 -100.89 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.788 HD12 HG23 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -52.58 -39.11 28.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.695 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 57.0 m-70 -61.46 -39.58 91.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 0.0 109.568 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' A' ' 81' ' ' GLU . 52.3 t30 -57.05 -51.61 68.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.512 HG21 HH21 ' A' ' 191' ' ' ARG . 3.8 pt -61.45 -25.57 37.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.695 ' HB3' ' O ' ' A' ' 84' ' ' HIS . . . -61.51 -62.16 2.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.577 ' O ' ' CB ' ' A' ' 27' ' ' SER . 0.3 OUTLIER -63.69 -45.57 89.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.289 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 1.083 ' O ' HG23 ' A' ' 93' ' ' ILE . 23.3 t-80 -54.98 -23.16 17.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.568 1.167 . . . . 0.0 109.61 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 1.009 HD22 HD21 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -56.26 -63.42 1.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 1.226 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -52.72 -48.73 66.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -49.49 -46.87 48.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.361 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 1.083 HG23 ' O ' ' A' ' 89' ' ' HIS . 1.1 pt -68.03 -24.68 30.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.462 ' O ' ' HG3' ' A' ' 157' ' ' LYS . . . -61.52 -54.5 35.35 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.555 1.159 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -61.57 -45.94 92.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 0.731 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.82 -40.84 98.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.085 . . . . 0.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.46 ' O ' ' N ' ' A' ' 99' ' ' HIS . 0.3 OUTLIER -51.74 -46.63 64.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 110.963 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 97' ' ' MET . 43.4 t0 -38.79 -30.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.46 ' N ' ' O ' ' A' ' 97' ' ' MET . 2.9 m-70 -44.2 -47.59 9.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.627 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -144.77 85.83 1.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.792 HG23 ' O ' ' A' ' 101' ' ' ILE . 0.3 OUTLIER -114.7 82.83 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.884 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 3.0 tt0 152.35 52.95 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.884 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.4 Cg_endo -75.02 11.51 1.43 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.511 1.795 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.834 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 0.9 OUTLIER 167.04 1.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.371 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.834 ' HB2' ' O ' ' A' ' 104' ' ' THR . 0.1 OUTLIER 106.01 29.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 1.207 HG22 ' CD2' ' A' ' 138' ' ' PHE . 1.0 OUTLIER -61.35 -74.67 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.277 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.845 ' N ' HG12 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -55.65 -17.12 5.05 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 110.337 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.782 ' CB ' HH21 ' A' ' 107' ' ' ARG . 0.8 OUTLIER -61.68 -48.13 82.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 110.318 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 1.25 HD12 ' N ' ' A' ' 110' ' ' ALA . 0.5 OUTLIER -64.09 -61.63 2.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 1.25 ' N ' HD12 ' A' ' 109' ' ' LEU . . . -49.97 -35.88 26.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 107' ' ' ARG . . . -69.29 -24.36 63.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.748 ' CG ' ' O ' ' A' ' 109' ' ' LEU . 2.0 pt20 -56.47 -50.97 70.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.275 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 1.182 ' CD2' ' HB2' ' A' ' 130' ' ' ALA . 1.5 p90 -67.77 -39.65 84.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.751 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 5.5 ttp -51.35 78.33 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 111.022 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.628 ' N ' ' O ' ' A' ' 113' ' ' PHE . 5.3 t-20 -143.98 -157.36 0.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 115' ' ' ASN . . . 38.09 -158.44 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.539 1.149 . . . . 0.0 111.013 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.519 ' O ' ' HB3' ' A' ' 118' ' ' LEU . 11.1 p -157.07 80.5 0.92 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 0.789 . . . . 0.0 109.955 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.554 ' O ' HD23 ' A' ' 118' ' ' LEU . 0.0 OUTLIER 78.49 102.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.72 156.31 18.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.957 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 48.39 24.47 0.73 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.13 . . . . 0.0 110.293 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.505 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 1.6 tt0 69.04 58.11 0.37 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 121' ' ' GLU . 0.7 OUTLIER 155.95 -177.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.698 ' HZ2' ' H ' ' A' ' 126' ' ' CYS . 0.1 OUTLIER -147.42 129.19 15.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.62 ' HA ' HD23 ' A' ' 127' ' ' LEU . 4.2 ttp-105 177.25 -42.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.53 ' O ' ' N ' ' A' ' 129' ' ' LYS . 24.3 t30 -67.51 -43.19 81.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.698 ' H ' ' HZ2' ' A' ' 123' ' ' LYS . 2.0 m -52.48 -58.93 5.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 108.348 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.823 HD13 ' N ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -59.22 -62.34 1.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.4 ' N ' ' OD1' ' A' ' 176' ' ' ASN . . . -48.5 -30.93 5.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.567 ' HB3' ' O ' ' A' ' 126' ' ' CYS . 3.6 tttt -60.77 -29.37 69.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 1.197 ' O ' HG12 ' A' ' 134' ' ' VAL . . . -73.5 -40.78 63.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 1.056 HD13 ' N ' ' A' ' 132' ' ' ASP . 0.0 OUTLIER -46.8 -47.98 20.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 1.056 ' N ' HD13 ' A' ' 131' ' ' LEU . 0.2 OUTLIER -62.06 -54.89 35.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.76 ' CB ' HD13 ' A' ' 109' ' ' LEU . 0.5 OUTLIER -51.57 -61.98 1.91 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 1.197 HG12 ' O ' ' A' ' 130' ' ' ALA . 1.4 p -57.59 -37.03 56.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 1.017 ' CE ' HG22 ' A' ' 134' ' ' VAL . 1.1 mmpt? -82.67 20.04 1.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.734 ' HB ' ' O ' ' A' ' 132' ' ' ASP . 0.6 OUTLIER -136.94 -10.06 1.78 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.38 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.693 ' C ' ' HD3' ' A' ' 139' ' ' PRO . . . -111.93 -50.18 2.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 1.207 ' CD2' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -117.16 61.53 2.88 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 110.98 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.693 ' HD3' ' C ' ' A' ' 137' ' ' ALA . 18.4 Cg_endo -74.96 145.69 31.9 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.447 1.762 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.802 ' N ' ' CB ' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 176.44 -161.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.364 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 141' ' ' ASP . . . . . 0.686 ' O ' ' HB2' ' A' ' 145' ' ' ASP . 1.0 OUTLIER -93.85 -105.89 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.082 . . . . 0.0 109.29 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 142' ' ' MET . . . . . 0.522 ' HA ' ' CZ ' ' A' ' 185' ' ' TYR . 7.7 tmm? -67.52 -34.87 77.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -65.49 -58.72 5.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 110.323 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' ASN . . . . . 0.802 ' CB ' ' N ' ' A' ' 140' ' ' ARG . 1.7 t30 -66.53 -60.5 2.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.686 ' HB2' ' O ' ' A' ' 141' ' ' ASP . 31.9 m-20 -40.44 -52.04 2.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.549 ' O ' ' HG ' ' A' ' 149' ' ' LEU . 6.0 ttmt -66.58 -26.19 66.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.639 ' HB3' ' O ' ' A' ' 144' ' ' ASN . . . -63.53 -54.77 30.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 148' ' ' MET . . . . . 0.8 ' SD ' HD23 ' A' ' 131' ' ' LEU . 0.9 OUTLIER -55.49 -53.57 54.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 111.029 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.79 HD12 ' C ' ' A' ' 149' ' ' LEU . 0.5 OUTLIER -55.24 -40.52 70.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.766 ' N ' HD12 ' A' ' 149' ' ' LEU . 1.4 mt -55.63 -30.2 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 109.287 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 151' ' ' MET . . . . . 1.096 ' O ' ' CD2' ' A' ' 155' ' ' LEU . 6.1 mmm -62.79 -56.96 12.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 152' ' ' THR . . . . . 0.903 HG21 ' HB2' ' A' ' 177' ' ' PHE . 50.6 p -44.3 -52.1 7.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.372 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 153' ' ' MET . . . . . 0.677 ' HE1' HD11 ' A' ' 93' ' ' ILE . 10.0 ptp -67.46 -24.95 65.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 111.034 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.994 ' C ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -60.39 -51.62 68.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 1.096 ' CD2' ' O ' ' A' ' 151' ' ' MET . 0.0 OUTLIER -52.02 -46.45 65.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 1.112 ' O ' ' O ' ' A' ' 159' ' ' VAL . . . -66.09 -54.09 29.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.551 ' O ' ' HB2' ' A' ' 162' ' ' HIS . 0.0 OUTLIER -43.43 -46.02 6.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.269 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 158' ' ' LYS . . . . . 0.584 ' O ' ' N ' ' A' ' 163' ' ' ALA . 7.1 mmmt -77.09 -52.91 8.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 159' ' ' VAL . . . . . 1.112 ' O ' ' O ' ' A' ' 156' ' ' ALA . 25.4 t -99.17 160.14 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 1.017 ' HB3' HG11 ' A' ' 170' ' ' VAL . . . 63.79 -53.23 0.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 161' ' ' SER . . . . . 0.631 ' N ' ' O ' ' A' ' 159' ' ' VAL . 0.2 OUTLIER -86.96 -11.51 50.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.003 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 162' ' ' HIS . . . . . 0.567 ' HB2' ' O ' ' A' ' 158' ' ' LYS . 10.4 m80 -147.3 -34.79 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.595 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 0.911 ' HB3' ' HA ' ' A' ' 159' ' ' VAL . . . -118.43 92.56 43.71 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 91.04 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.508 1.794 . . . . 0.0 110.972 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.66 -62.56 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.999 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 6.5 tp -122.06 62.2 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 167' ' ' LEU . . . . . 1.08 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -47.11 -61.6 1.81 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 168' ' ' ARG . . . . . 0.985 ' H ' HD13 ' A' ' 167' ' ' LEU . 0.5 OUTLIER -40.19 -45.82 2.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.264 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 169' ' ' ASP . . . . . 0.589 ' O ' ' OG1' ' A' ' 173' ' ' THR . 0.0 OUTLIER -63.95 -40.76 97.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 170' ' ' VAL . . . . . 1.017 HG11 ' HB3' ' A' ' 160' ' ' ALA . 1.1 t -62.86 -61.55 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 171' ' ' PHE . . . . . 1.114 ' CE1' HD22 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -45.25 -49.54 12.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 172' ' ' HIS . . . . . 0.617 ' CD2' ' O ' ' A' ' 123' ' ' LYS . 0.8 OUTLIER -58.5 -31.42 67.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.636 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 173' ' ' THR . . . . . 1.046 HG21 ' CG ' ' A' ' 155' ' ' LEU . 1.5 m -52.77 -49.06 66.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.414 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 174' ' ' THR . . . . . 0.727 ' HA ' ' HB ' ' A' ' 152' ' ' THR . 32.7 p -59.02 -63.71 1.21 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.395 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 175' ' ' VAL . . . . . 0.983 HG21 ' HB ' ' A' ' 21' ' ' VAL . 7.3 t -72.48 8.26 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 176' ' ' ASN . . . . . 0.766 ' ND2' HG22 ' A' ' 152' ' ' THR . 0.1 OUTLIER -73.15 -57.23 4.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.356 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 177' ' ' PHE . . . . . 0.903 ' HB2' HG21 ' A' ' 152' ' ' THR . 7.0 m-30 -65.13 -54.88 23.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 178' ' ' ILE . . . . . 0.793 ' HB ' HG23 ' A' ' 17' ' ' THR . 2.5 mt -51.09 -40.1 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 179' ' ' ASN . . . . . 0.736 ' O ' ' O ' ' A' ' 180' ' ' GLN . 11.5 t-20 -70.41 -33.03 70.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 180' ' ' GLN . . . . . 0.858 ' HG3' ' H ' ' A' ' 182' ' ' LEU . 0.4 OUTLIER -47.25 -152.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 110.26 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.635 ' N ' ' CG ' ' A' ' 180' ' ' GLN . 58.6 t30 -98.04 -30.8 12.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 182' ' ' LEU . . . . . 0.997 ' O ' ' O ' ' A' ' 183' ' ' PHE . 0.3 OUTLIER -80.53 -2.22 45.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.252 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 183' ' ' PHE . . . . . 0.997 ' O ' ' O ' ' A' ' 182' ' ' LEU . 0.1 OUTLIER 27.23 -178.93 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 184' ' ' SER . . . . . 0.786 ' N ' ' CG ' ' A' ' 183' ' ' PHE . 0.6 OUTLIER -47.71 178.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 110.014 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 185' ' ' TYR . . . . . 0.561 ' CZ ' ' HB2' ' A' ' 187' ' ' ARG . 1.1 t80 -48.46 117.57 2.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 186' ' ' VAL . . . . . . . . . . . . . 7.1 p -41.12 -39.11 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.561 ' HB2' ' CZ ' ' A' ' 185' ' ' TYR . 0.0 OUTLIER -55.34 -50.71 68.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 110.328 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 188' ' ' ASN . . . . . 0.514 ' O ' ' HG3' ' A' ' 191' ' ' ARG . 84.3 m-20 -53.8 -41.26 67.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.586 ' HB2' ' CE1' ' A' ' 183' ' ' PHE . 4.8 tp -66.24 -45.57 80.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 2.8 t -57.65 -57.74 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 191' ' ' ARG . . . . . 0.514 ' HG3' ' O ' ' A' ' 188' ' ' ASN . 0.0 OUTLIER -59.92 -42.83 94.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.31 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 192' ' ' ASN . . . . . 0.463 ' O ' ' C ' ' A' ' 193' ' ' GLU . 19.1 t30 -53.44 -47.86 69.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 193' ' ' GLU . . . . . 0.465 ' CG ' ' O ' ' A' ' 193' ' ' GLU . 0.0 OUTLIER 34.23 43.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 110.269 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 194' ' ' MET . . . . . 0.435 ' CB ' ' OD1' ' A' ' 192' ' ' ASN . 0.7 OUTLIER -138.24 130.98 29.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 179.991 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 ttp . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.439 0.161 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.486 ' O ' ' CB ' ' A' ' 3' ' ' SER . 2.9 p30 173.6 167.41 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.262 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.4 OUTLIER 159.83 149.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.953 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -179.48 147.75 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.2 p -175.06 148.7 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.79 152.22 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.027 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 167.19 162.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 152.48 127.97 1.32 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.476 1.11 . . . . 0.0 110.966 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.7 p -153.43 173.64 15.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 0.79 . . . . 0.0 110.009 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.65 ' O ' HD12 ' A' ' 11' ' ' LEU . . . 156.12 139.26 2.72 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.123 . . . . 0.0 111.004 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.65 HD12 ' O ' ' A' ' 10' ' ' GLY . 0.1 OUTLIER 174.47 155.51 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 0.758 . . . . 0.0 109.241 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.648 ' O ' ' HB2' ' A' ' 13' ' ' ALA . . . 150.33 159.62 8.85 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.118 . . . . 0.0 111.027 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.648 ' HB2' ' O ' ' A' ' 12' ' ' GLY . . . 167.13 132.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 0.763 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.535 ' HG3' ' CE2' ' A' ' 183' ' ' PHE . 5.8 mmtt -144.89 142.83 30.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -62.74 -46.98 85.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.614 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.593 HD11 ' CE1' ' A' ' 84' ' ' HIS . 0.2 OUTLIER -54.18 -37.15 34.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . 1.034 HG22 HG13 ' A' ' 175' ' ' VAL . 14.3 m -53.68 -59.07 5.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.386 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -48.88 -36.27 16.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.353 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.511 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.6 OUTLIER -61.29 -33.25 73.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.246 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.072 ' CD2' HD22 ' A' ' 90' ' ' LEU . 1.5 tm? -64.27 -45.79 86.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 1.0 ' HB ' HG21 ' A' ' 175' ' ' VAL . 0.5 OUTLIER -59.22 -64.29 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.742 ' HA ' ' CE2' ' A' ' 171' ' ' PHE . 1.4 t80 -62.27 -30.49 71.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 111.029 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -73.68 -34.95 55.91 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.514 1.134 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 1.175 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 1.3 t80 -56.9 -56.04 26.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 0.78 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 1.033 ' HB2' ' CZ ' ' A' ' 171' ' ' PHE . 0.3 OUTLIER -56.77 -43.37 80.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.579 ' HG3' ' N ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -59.97 -29.54 68.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.324 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.579 ' N ' ' HG3' ' A' ' 26' ' ' GLN . 0.1 OUTLIER -69.14 -86.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.3 t -144.35 50.14 1.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.001 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.707 ' HA3' HD12 ' A' ' 25' ' ' LEU . . . -99.73 -97.49 2.17 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.464 1.103 . . . . 0.0 111.043 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.631 ' HB3' ' CB ' ' A' ' 34' ' ' GLU . 43.5 t -110.64 -104.64 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 34' ' ' GLU . 2.7 m -143.83 166.93 23.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.403 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.694 ' HA ' HD11 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -46.52 -45.81 18.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 110.261 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 1.057 ' O ' HG23 ' A' ' 37' ' ' VAL . 1.1 mm-40 -60.64 -29.68 69.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.333 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.75 ' HG2' HD21 ' A' ' 25' ' ' LEU . 0.7 OUTLIER -71.45 -59.4 2.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.817 ' N ' HD23 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -46.36 -37.21 7.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 41' ' ' GLU . 11.6 tt0 -72.44 -34.34 67.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 1.057 HG23 ' O ' ' A' ' 33' ' ' GLN . 64.1 t -62.2 -63.37 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.084 ' HB2' ' CD2' ' A' ' 171' ' ' PHE . 0.1 OUTLIER -73.12 -39.47 65.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.702 ' HA3' ' CD2' ' A' ' 22' ' ' PHE . . . -46.53 -56.39 7.31 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 111.038 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 169.75 68.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.78 . . . . 0.0 110.306 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.5 ' CB ' ' O ' ' A' ' 36' ' ' GLU . 0.8 OUTLIER -144.71 122.86 12.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.285 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -101.7 106.95 49.54 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 55.95 4.08 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.529 1.805 . . . . 0.0 111.065 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.404 ' O ' ' HB2' ' A' ' 45' ' ' GLN . 4.5 p -52.99 -31.45 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' A' ' 44' ' ' VAL . 2.7 tt0 174.78 111.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 47' ' ' TYR . . . -155.4 179.33 9.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.578 ' O ' ' CB ' ' A' ' 48' ' ' TRP . 50.2 t80 -37.35 155.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.578 ' CB ' ' O ' ' A' ' 47' ' ' TYR . 1.8 t-105 154.8 119.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 107.999 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.529 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -110.21 -158.89 0.66 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.529 ' HB2' ' O ' ' A' ' 49' ' ' GLU . . . 174.17 -173.58 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -169.04 176.82 5.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.262 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.472 HD22 ' HA ' ' A' ' 52' ' ' LEU . 0.3 OUTLIER -179.25 129.61 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.82 131.46 22.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.08 . . . . 0.0 110.283 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -132.12 173.93 10.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 75.25 175.04 0.24 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.2 mp -113.94 178.48 4.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -102.2 116.07 31.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 44.7 p -85.62 -174.13 5.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.377 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -50.39 164.4 0.13 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.445 1.091 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 101.9 129.38 6.66 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.54 1.15 . . . . 0.0 110.972 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.423 ' O ' ' CG ' ' A' ' 62' ' ' GLN . 0.3 OUTLIER -146.16 121.12 10.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 0.754 . . . . 0.0 109.967 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.423 ' CG ' ' O ' ' A' ' 61' ' ' SER . 0.9 OUTLIER 172.84 129.04 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.469 1.106 . . . . 0.0 110.238 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -138.44 179.5 6.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.339 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.0 -177.34 5.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.0 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.567 ' O ' ' CB ' ' A' ' 66' ' ' SER . 18.5 ptp180 -119.31 -178.83 3.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.567 ' CB ' ' O ' ' A' ' 65' ' ' ARG . 0.7 OUTLIER 153.92 174.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.996 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.433 ' N ' ' OG ' ' A' ' 66' ' ' SER . 0.2 OUTLIER -148.4 154.89 40.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.958 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -143.24 171.16 14.47 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -158.12 174.17 15.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.329 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -166.38 131.06 2.27 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.505 1.128 . . . . 0.0 111.035 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -98.23 166.51 11.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 0.782 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 6.0 pt -131.96 130.31 61.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 74' ' ' PRO . 0.2 OUTLIER -117.01 137.61 24.0 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 110.282 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 73' ' ' GLU . 18.3 Cg_endo -74.99 -171.83 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.512 1.796 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -162.92 163.71 26.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 53.2 p -167.44 167.2 13.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 0.0 109.961 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -117.44 -93.56 0.51 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 110.295 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.8 p 171.1 -53.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.024 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -41.4 142.23 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -178.36 155.3 0.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 85' ' ' ASN . 0.3 OUTLIER -107.09 -138.34 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.3 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.616 HG22 ' N ' ' A' ' 83' ' ' ILE . 4.6 mp -100.38 -99.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.616 ' N ' HG22 ' A' ' 82' ' ' ILE . 6.3 mt -53.02 -38.84 30.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.353 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.593 ' CE1' HD11 ' A' ' 16' ' ' ILE . 44.4 m80 -61.94 -44.68 96.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.593 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' ' 81' ' ' GLU . 17.0 t30 -54.82 -50.06 69.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.559 HG22 ' O ' ' A' ' 83' ' ' ILE . 1.2 tp -61.71 -37.27 77.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.965 ' HA ' HD23 ' A' ' 20' ' ' LEU . . . -53.97 -44.45 70.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.548 ' C ' ' OG ' ' A' ' 27' ' ' SER . 0.3 OUTLIER -67.17 -51.98 47.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 1.055 ' O ' HG23 ' A' ' 93' ' ' ILE . 65.1 t60 -51.18 -20.5 1.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.569 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 1.072 HD22 ' CD2' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -58.1 -64.84 0.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 1.175 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -55.26 -45.2 76.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -51.64 -48.07 63.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.27 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 1.055 HG23 ' O ' ' A' ' 89' ' ' HIS . 1.7 pt -67.64 -22.17 28.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.54 -55.72 25.69 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.488 1.118 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -62.49 -51.57 66.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 0.776 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -61.38 -38.29 86.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.331 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.594 ' CB ' ' O ' ' A' ' 93' ' ' ILE . 7.0 tpp -51.45 -47.6 63.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.962 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.538 ' HA ' HD12 ' A' ' 101' ' ' ILE . 30.7 t0 -37.51 -32.46 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.455 ' N ' ' O ' ' A' ' 97' ' ' MET . 41.1 t60 -44.23 -39.93 4.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 109.584 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -143.74 87.6 1.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.751 HG22 ' O ' ' A' ' 101' ' ' ILE . 4.3 mt -116.41 81.29 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.986 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 3.4 tm0? 155.73 48.91 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.27 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.986 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.3 Cg_endo -75.01 76.86 3.28 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.888 ' OG1' ' O ' ' A' ' 103' ' ' PRO . 11.9 p 87.55 5.15 0.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.461 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.655 ' CB ' ' O ' ' A' ' 104' ' ' THR . 8.3 mt 103.01 26.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 1.011 HG22 ' CD2' ' A' ' 138' ' ' PHE . 0.9 OUTLIER -66.85 -75.41 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.823 ' N ' HG12 ' A' ' 106' ' ' VAL . 16.9 mmt180 -57.19 -15.61 6.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.152 . . . . 0.0 110.26 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.407 ' HB2' ' HA ' ' A' ' 105' ' ' LEU . 1.4 mm-40 -63.01 -48.97 76.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 1.227 HD12 ' N ' ' A' ' 110' ' ' ALA . 1.1 pp -60.44 -59.31 5.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.128 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 1.227 ' N ' HD12 ' A' ' 109' ' ' LEU . . . -50.3 -34.77 24.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.453 ' O ' ' HG3' ' A' ' 114' ' ' MET . . . -70.18 -24.06 63.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.763 ' CG ' ' O ' ' A' ' 109' ' ' LEU . 3.1 pt20 -54.89 -53.61 53.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.295 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 1.137 ' CD2' ' HB2' ' A' ' 130' ' ' ALA . 2.2 p90 -68.59 -38.46 80.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 111.007 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.755 ' CB ' HD12 ' A' ' 155' ' ' LEU . 0.0 OUTLIER -49.21 -19.5 0.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.403 ' N ' ' HG3' ' A' ' 114' ' ' MET . 1.0 OUTLIER -107.21 127.31 53.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 109.237 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -172.12 -115.3 0.36 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.578 ' O ' ' CB ' ' A' ' 118' ' ' LEU . 2.6 t -154.86 -92.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 0.786 . . . . 0.0 109.949 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.751 HD12 ' C ' ' A' ' 118' ' ' LEU . 0.2 OUTLIER 158.34 95.93 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.606 ' O ' ' CB ' ' A' ' 120' ' ' GLU . 23.6 t -137.65 74.83 1.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.982 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.726 ' O ' ' CG ' ' A' ' 121' ' ' GLU . 8.6 mt-10 152.46 -2.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.288 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.726 ' CG ' ' O ' ' A' ' 120' ' ' GLU . 0.4 OUTLIER 95.92 44.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.663 ' H ' HD13 ' A' ' 118' ' ' LEU . 1.1 m-20 69.6 61.13 0.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.082 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 122' ' ' ASP . 0.3 OUTLIER -43.07 165.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.495 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -120.25 0.26 10.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.545 ' O ' ' N ' ' A' ' 129' ' ' LYS . 9.2 p30 -67.02 -42.38 85.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.708 ' SG ' HD23 ' A' ' 127' ' ' LEU . 1.6 p -51.65 -55.73 17.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 108.267 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.866 HD12 ' HB2' ' A' ' 176' ' ' ASN . 0.0 OUTLIER -57.0 -70.16 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -46.25 -29.84 1.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.561 ' HB2' ' O ' ' A' ' 126' ' ' CYS . 21.1 mtpt -60.94 -29.26 69.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 1.137 ' HB2' ' CD2' ' A' ' 113' ' ' PHE . . . -72.0 -46.44 57.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.859 ' HB2' HD21 ' A' ' 182' ' ' LEU . 0.3 OUTLIER -41.95 -46.86 4.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.281 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.866 ' O ' ' HB ' ' A' ' 136' ' ' THR . 7.7 t70 -67.0 -44.13 81.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.857 ' CB ' HD13 ' A' ' 109' ' ' LEU . 1.5 mp0 -61.93 -61.59 2.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.285 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 1.012 ' HA ' HD21 ' A' ' 109' ' ' LEU . 0.1 OUTLIER -52.62 -38.86 28.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.513 1.133 . . . . 0.0 109.245 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.634 ' CG ' ' O ' ' A' ' 131' ' ' LEU . 0.5 OUTLIER -84.17 7.35 19.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.866 ' HB ' ' O ' ' A' ' 132' ' ' ASP . 0.5 OUTLIER -110.57 -22.55 11.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 110.421 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.798 ' HB3' ' CE1' ' A' ' 138' ' ' PHE . . . -105.47 -49.02 3.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 1.011 ' CD2' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -117.54 59.57 2.83 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 111.024 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.707 ' HD3' ' C ' ' A' ' 137' ' ' ALA . 18.3 Cg_endo -74.97 155.46 43.05 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.493 1.786 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.739 ' N ' ' CB ' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 161.93 -167.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 141' ' ' ASP . . . . . 0.688 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 0.8 OUTLIER -88.06 -105.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 142' ' ' MET . . . . . 0.644 ' HA ' ' CE2' ' A' ' 185' ' ' TYR . 12.6 ptt? -63.45 -32.37 73.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -66.16 -60.72 2.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' ASN . . . . . 0.739 ' CB ' ' N ' ' A' ' 140' ' ' ARG . 5.1 t30 -69.92 -56.94 5.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.688 ' CB ' ' O ' ' A' ' 141' ' ' ASP . 10.4 m-20 -38.73 -54.67 1.56 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.244 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.501 ' O ' ' CG1' ' A' ' 150' ' ' ILE . 6.1 mmpt? -64.58 -33.31 75.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.579 ' N ' ' O ' ' A' ' 144' ' ' ASN . . . -61.32 -54.3 45.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.378 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 148' ' ' MET . . . . . 0.689 ' HG2' HG13 ' A' ' 134' ' ' VAL . 2.4 mtm -51.54 -57.09 10.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.155 . . . . 0.0 111.024 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 1.07 HD21 HD11 ' A' ' 90' ' ' LEU . 7.3 tp -54.77 -43.3 72.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.675 HG21 ' CZ ' ' A' ' 107' ' ' ARG . 1.3 mm -51.86 -31.86 13.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.108 . . . . 0.0 109.298 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 151' ' ' MET . . . . . 1.055 ' O ' ' CD2' ' A' ' 155' ' ' LEU . 4.9 mmm -61.76 -56.0 24.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 111.01 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 152' ' ' THR . . . . . 0.946 HG21 ' HB2' ' A' ' 177' ' ' PHE . 44.4 p -45.37 -47.16 13.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.427 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 153' ' ' MET . . . . . 0.953 ' CE ' HD11 ' A' ' 93' ' ' ILE . 26.2 mtm -68.27 -25.17 65.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 111.011 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.955 ' C ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -62.21 -51.23 68.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 1.107 ' HB2' HG21 ' A' ' 173' ' ' THR . 0.0 OUTLIER -52.93 -54.69 31.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 1.051 ' HA ' HG22 ' A' ' 170' ' ' VAL . . . -60.52 -54.91 39.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.492 ' O ' ' CE ' ' A' ' 157' ' ' LYS . 0.0 OUTLIER -43.18 -52.21 5.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.342 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 158' ' ' LYS . . . . . 0.873 ' O ' ' N ' ' A' ' 162' ' ' HIS . 11.5 mmtp -75.51 -54.06 7.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 159' ' ' VAL . . . . . 1.023 HG13 ' HB3' ' A' ' 163' ' ' ALA . 49.0 t -52.27 -56.13 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.723 ' N ' ' O ' ' A' ' 156' ' ' ALA . . . -32.73 -37.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 161' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 159' ' ' VAL . 0.4 OUTLIER -119.8 -10.91 9.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.02 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 162' ' ' HIS . . . . . 0.873 ' N ' ' O ' ' A' ' 158' ' ' LYS . 16.2 t-80 -95.46 -50.87 4.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.606 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 1.023 ' HB3' HG13 ' A' ' 159' ' ' VAL . . . -126.27 66.01 59.78 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 164' ' ' PRO . . . . . 0.501 ' HD3' ' C ' ' A' ' 162' ' ' HIS . 18.3 Cg_endo -74.96 5.6 3.87 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.519 1.8 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.2 -0.64 55.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.018 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 17.5 mt -143.8 48.49 1.41 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.579 1.174 . . . . 0.0 109.284 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 167' ' ' LEU . . . . . 1.046 HD22 HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -51.35 -21.88 2.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 168' ' ' ARG . . . . . 0.608 ' CG ' ' N ' ' A' ' 169' ' ' ASP . 3.3 ptm180 -61.98 -48.67 79.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 169' ' ' ASP . . . . . 0.654 ' O ' ' OG1' ' A' ' 173' ' ' THR . 2.6 t70 -65.54 -34.48 78.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 170' ' ' VAL . . . . . 1.051 HG22 ' HA ' ' A' ' 156' ' ' ALA . 0.9 OUTLIER -48.9 -60.32 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 171' ' ' PHE . . . . . 1.084 ' CD2' ' HB2' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -57.16 -50.95 71.24 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 172' ' ' HIS . . . . . 0.603 ' O ' ' CB ' ' A' ' 176' ' ' ASN . 3.5 t-160 -49.25 -42.46 40.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.544 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 173' ' ' THR . . . . . 1.107 HG21 ' HB2' ' A' ' 155' ' ' LEU . 1.7 m -52.97 -52.39 58.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.369 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 174' ' ' THR . . . . . 0.653 ' HA ' ' HB ' ' A' ' 152' ' ' THR . 16.8 p -57.88 -68.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.462 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 175' ' ' VAL . . . . . 1.034 HG13 HG22 ' A' ' 17' ' ' THR . 16.2 t -70.64 12.42 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.138 . . . . 0.0 109.339 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 176' ' ' ASN . . . . . 0.866 ' HB2' HD12 ' A' ' 127' ' ' LEU . 0.1 OUTLIER -77.11 -56.18 4.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 177' ' ' PHE . . . . . 0.949 ' HB3' HD23 ' A' ' 182' ' ' LEU . 7.0 m-30 -68.27 -47.18 68.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.959 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 178' ' ' ILE . . . . . 0.888 ' CG2' HG23 ' A' ' 17' ' ' THR . 4.0 mt -53.43 -58.2 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.365 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 179' ' ' ASN . . . . . 0.741 ' N ' HG21 ' A' ' 17' ' ' THR . 0.3 OUTLIER -58.82 -37.23 75.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 180' ' ' GLN . . . . . 0.556 ' HG2' ' CD2' ' A' ' 131' ' ' LEU . 12.1 tp60 -53.33 -104.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.611 ' C ' HD13 ' A' ' 182' ' ' LEU . 16.2 t-20 -123.73 -5.55 8.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 182' ' ' LEU . . . . . 0.949 HD23 ' HB3' ' A' ' 177' ' ' PHE . 0.0 OUTLIER -94.74 35.81 1.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 183' ' ' PHE . . . . . 0.543 ' O ' ' CG ' ' A' ' 183' ' ' PHE . 1.1 t80 -44.54 71.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 184' ' ' SER . . . . . 0.819 ' N ' ' O ' ' A' ' 182' ' ' LEU . 0.4 OUTLIER 56.06 138.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.978 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 185' ' ' TYR . . . . . 0.662 ' CE1' ' CB ' ' A' ' 187' ' ' ARG . 2.0 t80 -64.44 76.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 186' ' ' VAL . . . . . 0.414 ' N ' ' O ' ' A' ' 184' ' ' SER . 30.6 m -43.15 -40.3 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.662 ' CB ' ' CE1' ' A' ' 185' ' ' TYR . 0.3 OUTLIER -53.02 -46.12 68.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 188' ' ' ASN . . . . . 0.581 ' HB2' ' CD2' ' A' ' 185' ' ' TYR . 1.5 t30 -61.27 -48.4 81.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' A' ' 189' ' ' LEU . 0.2 OUTLIER -54.32 -47.38 72.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 55.5 t -54.66 -47.22 73.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.24 -48.38 80.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.261 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -55.06 -48.25 73.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.19 128.36 35.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.339 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 194' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.1 -46.91 4.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 36.1 p30 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.975 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.472 0.177 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 171.2 129.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 t -179.28 137.52 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.422 1.076 . . . . 0.0 110.001 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 67.6 tt0 -178.06 133.78 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.286 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.6 p -172.47 127.67 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.3 p -178.32 145.5 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.001 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.7 p30 170.57 149.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 143.98 142.93 3.99 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.41 -85.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 0.763 . . . . 0.0 109.972 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.13 69.01 1.11 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.503 1.127 . . . . 0.0 111.032 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -174.97 108.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 0.806 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.785 ' HA3' ' HB2' ' A' ' 46' ' ' ALA . . . -145.2 -169.35 13.49 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -131.07 81.63 2.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 0.758 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.03 38.81 0.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -56.14 -47.23 78.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.602 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.475 HG22 ' N ' ' A' ' 17' ' ' THR . 0.2 OUTLIER -60.41 -53.65 45.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . 1.042 HG22 HG13 ' A' ' 175' ' ' VAL . 3.0 m -53.05 -43.95 67.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.421 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -48.76 -46.0 40.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 109.235 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.8 OUTLIER -66.34 -25.37 66.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.192 ' CD1' HD22 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -62.44 -50.28 72.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.915 ' H ' HG21 ' A' ' 175' ' ' VAL . 0.4 OUTLIER -55.27 -59.28 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.774 ' CE1' ' HB3' ' A' ' 35' ' ' LEU . 3.4 t80 -63.89 -27.5 69.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -72.9 -40.9 50.87 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 1.174 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 0.3 OUTLIER -52.2 -53.57 41.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.0 110.968 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.987 HD21 ' CG ' ' A' ' 34' ' ' GLU . 6.2 tp -59.29 -41.31 88.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.75 ' CA ' HD21 ' A' ' 35' ' ' LEU . 0.3 OUTLIER -56.48 -33.85 66.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 -179.93 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.507 ' OG ' ' O ' ' A' ' 24' ' ' PHE . 0.3 OUTLIER -60.86 -73.11 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.014 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.7 t -142.13 28.48 1.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.972 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.623 ' CA ' HD12 ' A' ' 25' ' ' LEU . . . -61.3 -146.91 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.532 ' HB3' ' CB ' ' A' ' 34' ' ' GLU . 7.5 t -86.4 -87.39 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.452 ' H ' ' HB2' ' A' ' 34' ' ' GLU . 5.7 t -146.99 172.26 13.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.418 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.86 -54.83 9.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -53.39 -27.71 25.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.255 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.987 ' CG ' HD21 ' A' ' 25' ' ' LEU . 9.7 tp10 -68.41 -56.19 9.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.954 ' HG ' ' HB3' ' A' ' 25' ' ' LEU . 9.7 mp -46.75 -38.46 10.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.22 -45.12 67.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.89 HG13 HD23 ' A' ' 167' ' ' LEU . 0.4 OUTLIER -62.67 -58.67 6.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.048 HD22 ' O ' ' A' ' 167' ' ' LEU . 19.7 mt -69.96 -44.57 69.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.641 ' N ' ' CD2' ' A' ' 171' ' ' PHE . . . -50.43 -51.16 33.05 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.45 1.094 . . . . 0.0 111.047 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -56.47 82.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.0 110.319 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -142.07 128.9 20.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -102.07 106.02 45.57 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.414 ' HD3' ' O ' ' A' ' 41' ' ' GLU . 18.4 Cg_endo -74.95 63.18 5.93 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.5 1.789 . . . . 0.0 110.983 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 43' ' ' PRO . 19.8 t -39.4 135.41 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 68.73 -176.56 0.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.785 ' HB2' ' HA3' ' A' ' 12' ' ' GLY . . . -165.4 111.38 0.92 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.343 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.458 ' C ' ' O ' ' A' ' 46' ' ' ALA . 9.2 t80 -33.46 -50.35 0.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.998 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 24.4 m95 63.05 145.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 107.974 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -148.91 -53.65 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.304 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 60.95 116.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -168.22 151.17 5.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 109.346 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 178.0 143.35 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -144.13 128.67 18.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.333 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.467 ' O ' ' CB ' ' A' ' 55' ' ' GLU . 3.8 p30 -153.88 179.59 8.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.467 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 0.5 OUTLIER 83.45 100.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.093 . . . . 0.0 110.29 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.934 HD13 ' O ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -168.68 140.77 2.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.263 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.721 ' N ' HD22 ' A' ' 56' ' ' LEU . 0.2 OUTLIER 178.93 138.47 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 110.262 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.2 t -153.64 141.03 19.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.443 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -166.56 169.01 14.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.348 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -148.35 -154.43 6.29 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.517 1.136 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 93.5 p -133.97 161.26 35.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 0.0 109.986 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.71 152.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.9 175.33 10.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 64.5 p -124.49 163.52 21.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.996 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.532 ' O ' ' CB ' ' A' ' 66' ' ' SER . 0.9 OUTLIER -99.4 144.85 28.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.288 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.532 ' CB ' ' O ' ' A' ' 65' ' ' ARG . 1.6 p 156.45 177.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.002 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -161.88 110.06 1.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 111.04 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -162.8 169.4 19.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -110.79 134.06 52.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -167.25 156.35 28.06 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.446 1.091 . . . . 0.0 110.988 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.433 ' O ' HG23 ' A' ' 72' ' ' ILE . 3.5 mtm180 -148.81 123.48 9.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 0.773 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.433 HG23 ' O ' ' A' ' 71' ' ' ARG . 1.1 pp -153.5 95.14 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -92.71 112.22 54.71 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.322 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 159.75 41.02 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.479 1.778 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 166.85 165.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.32 124.23 0.31 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.972 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -169.33 161.14 9.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.319 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 28.5 t -179.68 -88.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.96 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 71.64 -172.31 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 110.311 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 63.14 145.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.309 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.45 89.6 5.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.412 HG13 ' CB ' ' A' ' 85' ' ' ASN . 0.7 OUTLIER -97.57 -9.99 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.542 ' O ' HG22 ' A' ' 86' ' ' ILE . 2.6 mp -54.8 -50.58 59.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.558 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 43.2 m80 -62.13 -30.53 71.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.578 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.412 ' CB ' HG13 ' A' ' 82' ' ' ILE . 1.5 t-20 -60.31 -50.79 72.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.603 HD13 ' CG2' ' A' ' 186' ' ' VAL . 1.1 tp -64.78 -29.91 48.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.791 ' HB1' ' HA ' ' A' ' 20' ' ' LEU . . . -54.6 -50.46 67.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.485 ' O ' ' CB ' ' A' ' 27' ' ' SER . 5.6 mtp180 -68.41 -41.88 79.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.548 ' CE1' HG12 ' A' ' 93' ' ' ILE . 60.5 t60 -60.35 -16.32 33.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.605 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 1.192 HD22 ' CD1' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -59.84 -65.37 0.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.266 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 1.174 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -56.67 -54.72 42.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.341 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -52.13 -27.77 15.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.548 HG12 ' CE1' ' A' ' 89' ' ' HIS . 1.0 OUTLIER -70.67 -38.03 71.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.269 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -59.62 -53.85 42.61 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.501 1.126 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -63.95 -51.38 64.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 0.759 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -57.56 -42.87 83.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.266 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.532 ' HB2' ' O ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -54.06 -44.84 71.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 110.97 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.55 -29.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.44 ' N ' ' C ' ' A' ' 97' ' ' MET . 1.6 t-80 -55.69 -52.17 64.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 109.622 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 97' ' ' MET . 13.5 p-10 -146.96 86.57 1.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.623 HG22 ' O ' ' A' ' 101' ' ' ILE . 0.2 OUTLIER -143.46 101.77 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.859 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 6.8 mt-30 159.39 52.0 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.334 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.859 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.2 Cg_endo -75.05 4.57 4.65 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.515 1.797 . . . . 0.0 111.026 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.703 ' O ' HD12 ' A' ' 105' ' ' LEU . 0.8 OUTLIER 177.38 -0.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.561 1.163 . . . . 0.0 110.365 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.703 HD12 ' O ' ' A' ' 104' ' ' THR . 3.0 mt 107.8 46.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 1.129 HG12 ' CE2' ' A' ' 138' ' ' PHE . 0.0 OUTLIER -52.26 -93.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.472 ' HG2' ' CG2' ' A' ' 101' ' ' ILE . 0.0 OUTLIER -46.47 -19.54 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.295 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.521 ' HB3' ' HB3' ' A' ' 105' ' ' LEU . 0.6 OUTLIER -69.39 -54.71 13.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 110.272 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 1.239 HD12 ' N ' ' A' ' 110' ' ' ALA . 1.3 pp -63.43 -59.88 4.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.447 1.092 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 1.239 ' N ' HD12 ' A' ' 109' ' ' LEU . . . -44.95 -48.34 11.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.447 ' CB ' ' O ' ' A' ' 107' ' ' ARG . . . -62.28 -20.13 63.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 1.049 ' CD ' ' O ' ' A' ' 109' ' ' LEU . 0.2 OUTLIER -54.89 -49.55 70.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.308 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 1.082 ' CD2' ' O ' ' A' ' 110' ' ' ALA . 2.4 p90 -63.88 -41.41 97.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.854 ' HG3' HD23 ' A' ' 155' ' ' LEU . 8.2 ttp -50.44 -27.06 5.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -122.15 109.06 14.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.351 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 117.03 -2.67 19.29 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.439 1.087 . . . . 0.0 111.005 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.573 ' O ' ' CB ' ' A' ' 118' ' ' LEU . 48.1 t -156.0 63.78 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 0.732 . . . . 0.0 110.009 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.573 ' CB ' ' O ' ' A' ' 117' ' ' SER . 0.6 OUTLIER 158.08 102.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.93 120.92 42.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.975 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.531 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 3.3 mt-10 44.92 26.57 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.336 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.531 ' CB ' ' O ' ' A' ' 120' ' ' GLU . 0.4 OUTLIER 88.29 92.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.315 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.439 ' HB2' ' CE ' ' A' ' 123' ' ' LYS . 13.5 m-20 -107.23 -60.85 1.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.457 ' HZ2' ' C ' ' A' ' 117' ' ' SER . 0.0 OUTLIER -138.94 176.77 8.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.754 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -114.37 3.56 15.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.525 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 3.3 t-20 -70.85 -31.82 68.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.492 ' O ' ' HB3' ' A' ' 129' ' ' LYS . 0.0 OUTLIER -44.38 -59.35 2.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 108.293 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.821 ' HA ' ' CZ ' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -51.39 -69.36 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -45.97 -29.09 1.31 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.525 ' HB2' ' O ' ' A' ' 125' ' ' ASN . 0.0 OUTLIER -59.66 -31.06 69.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 109.311 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.967 ' HB2' ' CD2' ' A' ' 113' ' ' PHE . . . -71.66 -47.43 54.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 1.015 HD12 ' SD ' ' A' ' 148' ' ' MET . 0.0 OUTLIER -39.97 -45.96 1.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.538 ' O ' ' HB ' ' A' ' 136' ' ' THR . 0.1 OUTLIER -70.67 -41.04 72.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.903 ' HB3' HD13 ' A' ' 109' ' ' LEU . 7.9 mm-40 -64.77 -61.35 2.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.316 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 1.056 HG23 ' CD2' ' A' ' 138' ' ' PHE . 0.2 OUTLIER -44.13 -44.82 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.736 ' O ' ' CG ' ' A' ' 139' ' ' PRO . 37.5 mtmt -72.25 -31.52 65.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.806 HG22 ' O ' ' A' ' 133' ' ' GLU . 0.7 OUTLIER -58.49 -20.13 43.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.364 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.845 ' HB3' ' CE1' ' A' ' 138' ' ' PHE . . . -114.76 -46.86 2.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 1.129 ' CE2' HG12 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -118.16 58.58 3.15 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.165 . . . . 0.0 110.974 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.736 ' CG ' ' O ' ' A' ' 135' ' ' LYS . 18.2 Cg_endo -75.0 149.17 36.3 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.489 1.784 . . . . 0.0 110.945 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.798 ' HB2' ' CG ' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 162.82 -171.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.352 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 141' ' ' ASP . . . . . 0.578 ' O ' ' N ' ' A' ' 145' ' ' ASP . 1.7 m-20 -84.77 -141.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' MET . . . . . 0.45 ' O ' ' HB3' ' A' ' 146' ' ' LYS . 31.9 mmt -49.04 -33.94 12.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 111.021 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.38 -67.79 0.27 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 144' ' ' ASN . . . . . 0.858 ' HB3' ' O ' ' A' ' 138' ' ' PHE . 0.9 OUTLIER -76.43 -44.61 35.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.578 ' N ' ' O ' ' A' ' 141' ' ' ASP . 7.7 t70 -36.9 -50.53 0.87 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.45 ' HB3' ' O ' ' A' ' 142' ' ' MET . 0.5 OUTLIER -54.43 -32.08 56.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.739 ' N ' ' O ' ' A' ' 144' ' ' ASN . . . -57.03 -55.25 37.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.586 1.179 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 148' ' ' MET . . . . . 1.015 ' SD ' HD12 ' A' ' 131' ' ' LEU . 0.0 OUTLIER -51.35 -42.84 61.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 111.055 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.882 ' N ' ' HG3' ' A' ' 148' ' ' MET . 2.1 tp -55.62 -43.94 76.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.644 HD12 ' HA ' ' A' ' 147' ' ' ALA . 52.8 mt -55.46 -32.35 29.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 151' ' ' MET . . . . . 0.807 ' HE3' ' O ' ' A' ' 106' ' ' VAL . 23.5 mmm -57.69 -52.81 63.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 152' ' ' THR . . . . . 0.912 HG21 ' HB2' ' A' ' 177' ' ' PHE . 44.8 p -53.87 -47.98 70.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.39 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 153' ' ' MET . . . . . 0.519 ' HE2' HG22 ' A' ' 93' ' ' ILE . 2.7 mpp? -62.79 -27.54 69.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.952 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.977 ' C ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -57.27 -57.27 13.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 1.049 HD21 ' CZ ' ' A' ' 113' ' ' PHE . 5.4 mp -48.31 -49.36 34.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 1.028 ' O ' ' O ' ' A' ' 159' ' ' VAL . . . -64.82 -46.29 82.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.346 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 7.5 tptp -48.67 -51.87 26.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.35 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 158' ' ' LYS . . . . . 0.818 ' O ' ' N ' ' A' ' 163' ' ' ALA . 0.0 OUTLIER -78.2 -51.52 10.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 109.295 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 159' ' ' VAL . . . . . 1.028 ' O ' ' O ' ' A' ' 156' ' ' ALA . 57.7 t -90.48 154.97 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.943 ' CB ' HG11 ' A' ' 170' ' ' VAL . . . 70.92 -47.75 0.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 161' ' ' SER . . . . . 0.469 ' H ' ' C ' ' A' ' 159' ' ' VAL . 0.2 OUTLIER -96.2 -9.51 30.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.951 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 162' ' ' HIS . . . . . 0.646 ' CB ' ' O ' ' A' ' 158' ' ' LYS . 0.1 OUTLIER -151.53 -35.64 0.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.573 1.17 . . . . 0.0 109.606 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 0.982 ' HB3' ' HA ' ' A' ' 159' ' ' VAL . . . -113.45 98.2 45.9 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 53.92 3.48 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.499 1.789 . . . . 0.0 111.007 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 165' ' ' SER . . . . . 0.574 ' C ' HD13 ' A' ' 166' ' ' LEU . 3.9 m -111.13 -65.3 1.18 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.004 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.631 ' O ' ' N ' ' A' ' 170' ' ' VAL . 0.2 OUTLIER -105.89 53.14 0.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.336 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 167' ' ' LEU . . . . . 1.048 ' O ' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -52.32 -59.07 4.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 168' ' ' ARG . . . . . 0.993 ' N ' HD22 ' A' ' 167' ' ' LEU . 0.7 OUTLIER -58.16 -48.78 79.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.318 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 169' ' ' ASP . . . . . 0.615 ' N ' ' CG ' ' A' ' 168' ' ' ARG . 0.2 OUTLIER -62.33 -36.56 82.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 170' ' ' VAL . . . . . 0.943 HG11 ' CB ' ' A' ' 160' ' ' ALA . 1.0 OUTLIER -50.37 -57.78 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 171' ' ' PHE . . . . . 0.952 ' CE1' HD22 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -50.12 -53.65 25.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 172' ' ' HIS . . . . . 0.632 ' O ' ' CB ' ' A' ' 176' ' ' ASN . 2.2 t60 -54.35 -29.18 47.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.569 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 173' ' ' THR . . . . . 0.866 ' O ' ' HB ' ' A' ' 152' ' ' THR . 2.1 m -56.6 -57.24 13.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.396 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 174' ' ' THR . . . . . 0.557 ' HA ' ' CB ' ' A' ' 152' ' ' THR . 32.7 p -53.79 -64.77 0.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.402 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 175' ' ' VAL . . . . . 1.042 HG13 HG22 ' A' ' 17' ' ' THR . 33.3 t -72.42 9.26 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 176' ' ' ASN . . . . . 0.795 ' HB3' ' O ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -77.44 -55.62 5.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 177' ' ' PHE . . . . . 0.912 ' HB2' HG21 ' A' ' 152' ' ' THR . 3.6 m-30 -62.09 -51.77 66.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 178' ' ' ILE . . . . . 0.919 HD11 HD21 ' A' ' 90' ' ' LEU . 2.4 mt -55.2 -45.26 77.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -58.63 -39.98 82.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -94.7 1.38 55.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.275 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.789 ' ND2' HD22 ' A' ' 182' ' ' LEU . 57.5 t30 -97.62 -143.49 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 182' ' ' LEU . . . . . 0.845 HD13 ' N ' ' A' ' 182' ' ' LEU . 0.0 OUTLIER -95.29 41.96 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 183' ' ' PHE . . . . . 0.646 ' O ' ' CD2' ' A' ' 183' ' ' PHE . 5.3 t80 21.08 95.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 184' ' ' SER . . . . . 0.621 ' CB ' ' O ' ' A' ' 183' ' ' PHE . 2.0 m 95.57 70.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.974 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 185' ' ' TYR . . . . . 0.463 ' CD1' ' OD1' ' A' ' 145' ' ' ASP . 1.0 OUTLIER -54.98 -40.94 70.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.989 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 186' ' ' VAL . . . . . 0.603 ' CG2' HD13 ' A' ' 86' ' ' ILE . 8.2 p -59.57 -40.38 81.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.504 ' O ' ' CG2' ' A' ' 190' ' ' VAL . 0.0 OUTLIER -52.22 -44.93 65.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.312 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 188' ' ' ASN . . . . . 0.445 ' CB ' ' CE ' ' A' ' 142' ' ' MET . 1.6 m120 -64.33 -42.01 96.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.402 ' N ' ' SD ' ' A' ' 142' ' ' MET . 8.5 tt -57.27 -54.15 50.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 190' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 187' ' ' ARG . 18.9 m -59.14 -45.94 92.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -47.69 69.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 110.313 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -62.34 -51.12 68.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.59 -170.76 0.89 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.345 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 194' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.64 44.18 2.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 31.1 t0 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.7 ' CG1' ' CZ ' ' A' ' 183' ' ' PHE . 8.6 tp . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.806 HG23 HG13 ' A' ' 175' ' ' VAL . 0.9 OUTLIER -53.33 -63.52 1.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.416 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -51.7 -35.82 44.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.593 HD13 ' NE2' ' A' ' 84' ' ' HIS . 1.0 OUTLIER -56.51 -33.16 65.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.083 HD21 HD22 ' A' ' 90' ' ' LEU . 1.5 tm? -65.24 -42.77 93.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.962 ' HB ' HG21 ' A' ' 175' ' ' VAL . 0.4 OUTLIER -63.89 -63.62 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 1.118 ' CE1' HD12 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -63.37 -32.0 73.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 111.01 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.543 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -74.29 -40.22 41.6 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 1.263 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 0.5 OUTLIER -51.89 -55.18 21.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 0.761 . . . . 0.0 111.047 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 1.052 HD22 HD12 ' A' ' 38' ' ' LEU . 6.3 tp -60.88 -42.79 98.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.8 tm0? -49.23 -33.28 12.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.508 ' CB ' ' HB2' ' A' ' 88' ' ' ARG . 0.1 OUTLIER -82.88 -57.03 3.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.036 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.46 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 11.8 t -145.29 -141.87 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.049 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.539 ' HA3' HD12 ' A' ' 25' ' ' LEU . . . 81.78 -144.09 23.84 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.436 1.085 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.755 ' H ' HD11 ' A' ' 25' ' ' LEU . 34.6 t -56.06 -110.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.425 ' O ' ' HB3' ' A' ' 34' ' ' GLU . 5.1 m -140.96 170.3 15.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.45 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 1.047 ' O ' HD23 ' A' ' 35' ' ' LEU . 14.3 ptt180 -49.6 -55.3 14.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.259 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -51.85 -27.66 13.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.165 . . . . 0.0 110.316 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.721 ' CG ' HD21 ' A' ' 25' ' ' LEU . 2.9 tp10 -68.11 -57.48 6.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 110.276 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 1.118 HD12 ' CE1' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -46.57 -32.57 3.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.542 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 5.2 tt0 -68.12 -46.62 70.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.804 HG13 HD23 ' A' ' 167' ' ' LEU . 0.3 OUTLIER -65.73 -56.77 13.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 1.052 HD12 HD22 ' A' ' 25' ' ' LEU . 5.1 mt -67.45 -49.4 63.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.419 1.074 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.732 ' HA3' ' CD1' ' A' ' 22' ' ' PHE . . . -57.62 -41.52 93.7 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.542 ' CB ' ' O ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.494 0.761 . . . . 0.0 110.275 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 3.7 pt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.65 ' O ' HG22 ' A' ' 86' ' ' ILE . 0.4 OUTLIER -52.24 -56.25 7.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.593 ' NE2' HD13 ' A' ' 19' ' ' LEU . 30.3 m80 -54.65 -39.22 67.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.556 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.496 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 0.9 OUTLIER -54.3 -44.17 71.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 109.268 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.65 HG22 ' O ' ' A' ' 83' ' ' ILE . 1.3 tp -61.4 -35.22 65.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.706 ' HB1' ' HA ' ' A' ' 20' ' ' LEU . . . -57.27 -58.91 6.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.508 ' HB2' ' CB ' ' A' ' 27' ' ' SER . 2.8 ptt180 -64.16 -37.34 87.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.428 ' N ' ' CG ' ' A' ' 88' ' ' ARG . 15.4 t-80 -57.1 -25.36 58.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.58 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 1.083 HD22 HD21 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -55.11 -60.05 3.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.321 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 1.263 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -54.76 -52.25 63.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -47.87 -35.07 9.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.313 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.921 HG22 ' CE ' ' A' ' 153' ' ' MET . 9.6 mm -70.66 -34.16 55.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.459 ' N ' ' SD ' ' A' ' 153' ' ' MET . . . -57.44 -52.9 48.97 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -60.05 -52.48 65.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -56.69 -41.23 76.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.524 ' CE ' HD13 ' A' ' 150' ' ' ILE . 0.0 OUTLIER -52.79 -44.86 66.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 97' ' ' MET . 22.3 t0 -39.06 -29.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.472 ' N ' ' C ' ' A' ' 97' ' ' MET . 20.1 t-160 -51.49 -53.5 36.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.137 . . . . 0.0 109.595 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 97' ' ' MET . 1.9 t-20 -147.77 85.93 1.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.849 HG23 ' O ' ' A' ' 101' ' ' ILE . 1.7 tt -118.73 72.69 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.737 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 6.3 mt-30 157.95 55.85 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.253 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.737 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.4 Cg_endo -74.96 7.16 2.97 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.466 1.771 . . . . 0.0 111.024 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.725 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 0.4 OUTLIER 177.58 7.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.397 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.725 ' HB2' ' O ' ' A' ' 104' ' ' THR . 6.0 mt 105.47 32.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.345 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.867 ' HA ' ' CZ ' ' A' ' 138' ' ' PHE . 2.1 t -63.17 -82.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.81 ' N ' HG12 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -53.34 -17.83 2.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.325 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.24 -50.49 70.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.338 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 1.179 HD12 ' N ' ' A' ' 110' ' ' ALA . 1.9 pp -62.38 -60.01 4.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 1.179 ' N ' HD12 ' A' ' 109' ' ' LEU . . . -48.57 -37.77 18.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -70.0 -23.1 63.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.775 ' CG ' ' O ' ' A' ' 109' ' ' LEU . 4.1 pt20 -55.26 -52.61 62.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 1.084 ' CD2' ' HB2' ' A' ' 130' ' ' ALA . 1.5 p90 -67.94 -39.06 83.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 111.063 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.709 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 8.9 tmm? . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.653 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.5 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 1.2 t30 -68.1 -40.29 82.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.501 ' HB2' ' HB2' ' A' ' 113' ' ' PHE . 2.6 p -49.99 -55.36 14.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 108.323 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.888 ' HA ' ' CZ ' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -51.32 -70.63 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -43.38 -29.62 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.5 ' HB2' ' O ' ' A' ' 125' ' ' ASN . 4.9 tttp -63.36 -28.05 69.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 1.084 ' HB2' ' CD2' ' A' ' 113' ' ' PHE . . . -72.36 -47.48 49.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.957 HD13 ' SD ' ' A' ' 148' ' ' MET . 0.0 OUTLIER -40.8 -46.95 2.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.445 ' O ' ' HB ' ' A' ' 136' ' ' THR . 0.3 OUTLIER -68.85 -39.41 79.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.76 ' CB ' HD13 ' A' ' 109' ' ' LEU . 9.0 mt-10 -67.86 -61.07 2.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.271 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 1.175 HG23 ' CE2' ' A' ' 138' ' ' PHE . 0.2 OUTLIER -43.28 -42.36 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.591 ' O ' ' CD ' ' A' ' 139' ' ' PRO . 4.9 ttpt -72.55 -35.15 67.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.244 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.757 HG22 ' O ' ' A' ' 133' ' ' GLU . 0.7 OUTLIER -56.95 -26.49 59.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.396 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.866 ' HB3' ' CE1' ' A' ' 138' ' ' PHE . . . -102.42 -50.17 3.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 1.175 ' CE2' HG23 ' A' ' 134' ' ' VAL . 0.0 OUTLIER -117.78 62.53 4.03 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.81 ' C ' ' HB2' ' A' ' 144' ' ' ASN . 18.4 Cg_endo -74.97 156.31 43.11 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.456 1.766 . . . . 0.0 111.031 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . 0.754 ' N ' ' CB ' ' A' ' 144' ' ' ASN . 21.9 mtt180 155.01 -169.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . 0.702 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 41.5 m-20 -89.44 -103.64 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . 0.592 ' CB ' ' CE2' ' A' ' 185' ' ' TYR . 17.1 ptt? -61.69 -32.84 73.07 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -62.32 1.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.254 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . 0.81 ' HB2' ' C ' ' A' ' 139' ' ' PRO . 4.1 t30 -67.92 -59.29 3.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . 0.702 ' CB ' ' O ' ' A' ' 141' ' ' ASP . 9.8 t70 -39.85 -52.89 2.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.896 ' O ' HG23 ' A' ' 150' ' ' ILE . 10.0 ttmt -66.75 -29.5 69.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.602 ' N ' ' O ' ' A' ' 144' ' ' ASN . . . -63.23 -59.61 4.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' MET . . . . . 0.957 ' SD ' HD13 ' A' ' 131' ' ' LEU . 1.4 ptp -50.65 -44.51 57.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 110.965 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.664 ' N ' ' HG3' ' A' ' 148' ' ' MET . 0.5 OUTLIER -53.12 -43.64 67.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 0.0 109.269 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 0.896 HG23 ' O ' ' A' ' 146' ' ' LYS . 0.6 OUTLIER -53.58 -31.51 19.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' MET . . . . . 1.094 ' O ' ' CD2' ' A' ' 155' ' ' LEU . 5.3 mmm -63.88 -54.68 30.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' THR . . . . . 0.918 HG23 ' HA ' ' A' ' 174' ' ' THR . 0.6 OUTLIER -42.77 -52.53 4.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 110.387 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' MET . . . . . 0.921 ' CE ' HG22 ' A' ' 93' ' ' ILE . 10.8 ptt? -69.49 -25.47 64.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.964 ' C ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -57.59 -51.75 68.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 1.094 ' CD2' ' O ' ' A' ' 151' ' ' MET . 0.0 OUTLIER -52.0 -57.43 9.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 0.947 ' HA ' HG22 ' A' ' 170' ' ' VAL . . . -55.66 -53.88 51.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.507 ' HB2' ' O ' ' A' ' 153' ' ' MET . 0.0 OUTLIER -43.24 -54.21 4.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . 0.938 ' O ' ' N ' ' A' ' 162' ' ' HIS . 0.0 OUTLIER -78.53 -56.81 4.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.285 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' VAL . . . . . 1.122 ' CG1' ' HB3' ' A' ' 163' ' ' ALA . 49.1 t -49.6 -57.74 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.699 ' N ' ' O ' ' A' ' 156' ' ' ALA . . . -32.65 -40.2 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 159' ' ' VAL . 0.4 OUTLIER -116.22 -12.19 11.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.976 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . 0.938 ' N ' ' O ' ' A' ' 158' ' ' LYS . 19.2 t60 -93.82 -49.37 5.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.566 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 1.122 ' HB3' ' CG1' ' A' ' 159' ' ' VAL . . . -116.81 81.42 11.91 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -3.47 13.97 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.511 1.795 . . . . 0.0 111.017 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.19 -12.27 23.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.965 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.831 HD22 ' CB ' ' A' ' 169' ' ' ASP . 10.6 mt -111.83 40.55 2.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . 0.984 ' O ' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -51.33 -60.56 2.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . 0.924 ' H ' HD13 ' A' ' 167' ' ' LEU . 21.6 ptt180 -53.81 -45.72 70.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.278 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . 0.831 ' CB ' HD22 ' A' ' 166' ' ' LEU . 0.3 OUTLIER -64.33 -37.72 88.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 170' ' ' VAL . . . . . 0.947 HG22 ' HA ' ' A' ' 156' ' ' ALA . 0.4 OUTLIER -48.51 -55.52 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . 0.971 ' CE1' HD22 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -60.5 -48.04 83.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.085 . . . . 0.0 110.987 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 172' ' ' HIS . . . . . 0.58 ' CE1' ' HB3' ' A' ' 124' ' ' ARG . 22.1 t-160 -52.98 -36.21 59.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.629 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 173' ' ' THR . . . . . 1.065 HG21 ' CB ' ' A' ' 155' ' ' LEU . 93.3 m -58.62 -47.93 82.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.367 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 174' ' ' THR . . . . . 0.918 ' HA ' HG23 ' A' ' 152' ' ' THR . 16.1 p -61.64 -63.51 1.25 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 110.416 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 175' ' ' VAL . . . . . 0.962 HG21 ' HB ' ' A' ' 21' ' ' VAL . 2.3 t -70.12 8.43 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 176' ' ' ASN . . . . . 0.712 ' HB2' ' CD1' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -77.34 -59.32 2.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 177' ' ' PHE . . . . . 0.857 ' CE2' ' HB2' ' A' ' 151' ' ' MET . 2.6 m-30 -61.23 -52.88 62.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.97 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 178' ' ' ILE . . . . . 0.73 HD11 HG23 ' A' ' 17' ' ' THR . 0.0 OUTLIER -56.46 -43.17 77.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.312 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 179' ' ' ASN . . . . . 0.632 ' CB ' ' O ' ' A' ' 175' ' ' VAL . 7.4 t-20 -63.86 -43.26 96.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.68 -23.51 53.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.282 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.846 ' OD1' HD22 ' A' ' 182' ' ' LEU . 4.5 t-20 -101.31 -154.35 0.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 182' ' ' LEU . . . . . 0.846 HD22 ' OD1' ' A' ' 181' ' ' ASN . 0.0 OUTLIER -94.74 75.29 3.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.254 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 183' ' ' PHE . . . . . 0.7 ' CZ ' ' CG1' ' A' ' 16' ' ' ILE . 0.7 OUTLIER 22.17 -86.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.967 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 184' ' ' SER . . . . . 0.64 ' N ' ' CG ' ' A' ' 183' ' ' PHE . 2.2 t -116.01 113.5 23.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.024 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 185' ' ' TYR . . . . . 0.592 ' CE2' ' CB ' ' A' ' 142' ' ' MET . 68.1 t80 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.988 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.2 tp . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.906 HG23 HD11 ' A' ' 178' ' ' ILE . 1.2 m -51.79 -67.37 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.403 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -49.54 -37.25 26.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 23' ' ' GLY . 1.0 OUTLIER -58.33 -31.33 67.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.155 HD21 HD22 ' A' ' 90' ' ' LEU . 1.0 OUTLIER -66.61 -45.28 79.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 1.077 ' HB ' HG21 ' A' ' 175' ' ' VAL . 0.4 OUTLIER -62.76 -61.38 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 1.105 ' CD1' HD21 ' A' ' 35' ' ' LEU . 1.6 t80 -62.67 -31.47 72.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 111.011 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -74.33 -37.08 48.61 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 1.197 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 0.5 OUTLIER -57.8 -59.75 4.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 0.792 . . . . 0.0 110.955 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 1.081 HD22 ' CE1' ' A' ' 171' ' ' PHE . 9.6 tp -54.81 -42.03 71.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.63 -29.89 71.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.264 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.591 ' HB3' ' HB3' ' A' ' 91' ' ' ALA . 10.8 t -50.04 -59.8 3.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.019 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.05 -44.92 5.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.016 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.579 ' N ' ' O ' ' A' ' 25' ' ' LEU . . . 91.53 89.53 1.42 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.493 ' HB2' HD11 ' A' ' 25' ' ' LEU . 0.5 OUTLIER -80.03 -59.93 2.53 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.906 HG22 ' H ' ' A' ' 34' ' ' GLU . 1.0 OUTLIER -141.87 119.57 11.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.581 1.176 . . . . 0.0 110.417 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -44.65 -59.43 2.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.561 ' O ' ' HB ' ' A' ' 37' ' ' VAL . 64.0 tt0 -59.34 -25.78 64.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.251 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.906 ' H ' HG22 ' A' ' 31' ' ' THR . 2.2 mt-10 -67.85 -62.9 1.2 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 1.105 HD21 ' CD1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -47.53 -39.67 16.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.451 ' O ' ' O ' ' A' ' 40' ' ' ARG . 3.0 tm-20 -70.16 -48.27 58.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.696 HG13 ' CD2' ' A' ' 167' ' ' LEU . 0.3 OUTLIER -67.32 -55.33 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 1.005 ' HB3' ' CG ' ' A' ' 171' ' ' PHE . 11.8 mt -66.82 -45.48 78.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.841 ' HA3' ' CD2' ' A' ' 22' ' ' PHE . . . -52.15 -47.1 55.89 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.551 1.157 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.451 ' O ' ' O ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.526 0.78 . . . . 0.0 110.28 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 22.9 mm . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.583 ' O ' HG22 ' A' ' 86' ' ' ILE . 0.6 OUTLIER -52.2 -51.27 32.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.257 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.488 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 41.2 m80 -57.07 -39.66 75.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.598 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.443 ' O ' ' CG ' ' A' ' 88' ' ' ARG . 4.0 t-20 -53.1 -45.36 68.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.583 HG22 ' O ' ' A' ' 83' ' ' ILE . 0.7 OUTLIER -62.51 -39.45 84.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.834 ' HA ' HD23 ' A' ' 20' ' ' LEU . . . -53.43 -55.33 26.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.519 ' O ' ' CB ' ' A' ' 27' ' ' SER . 13.0 ptm180 -66.69 -37.84 85.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 0.0 110.31 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.612 ' CE1' HD11 ' A' ' 93' ' ' ILE . 18.6 t-160 -53.99 -23.22 12.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.61 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 1.155 HD22 HD21 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -59.17 -62.08 2.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 1.197 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -53.96 -53.9 46.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.272 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -48.47 -34.08 10.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.331 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.612 HD11 ' CE1' ' A' ' 89' ' ' HIS . 20.6 mt -71.44 -31.29 42.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 91' ' ' ALA . . . -60.24 -52.87 50.09 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -60.95 -52.35 65.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 0.739 . . . . 0.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -61.92 -39.22 91.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.283 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.565 ' SD ' ' CZ ' ' A' ' 107' ' ' ARG . 6.3 mmt -50.9 -43.95 59.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 111.035 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.421 ' HA ' ' CD1' ' A' ' 101' ' ' ILE . 16.5 t70 -38.17 -30.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.466 ' N ' ' C ' ' A' ' 97' ' ' MET . 57.1 t60 -49.52 -42.61 44.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.598 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.446 ' O ' ' NE ' ' A' ' 107' ' ' ARG . 4.8 m-80 -145.49 88.76 1.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.567 ' O ' ' CB ' ' A' ' 102' ' ' GLN . 10.5 mt -116.38 71.95 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.922 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 0.0 OUTLIER 154.67 51.19 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 110.294 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.922 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.4 Cg_endo -75.0 74.77 3.9 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.507 1.793 . . . . 0.0 111.028 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.695 ' O ' ' CB ' ' A' ' 105' ' ' LEU . 3.2 m 92.4 4.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 110.424 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.792 HD23 ' O ' ' A' ' 105' ' ' LEU . 3.9 tt 105.45 26.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 1.071 HG22 ' CD1' ' A' ' 138' ' ' PHE . 1.3 t -71.6 -83.02 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.903 ' N ' HG12 ' A' ' 106' ' ' VAL . 5.1 mtt-85 -54.03 -17.0 2.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -67.96 -49.43 61.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.322 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 1.272 HD12 ' N ' ' A' ' 110' ' ' ALA . 0.6 OUTLIER -55.3 -55.2 34.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.316 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 1.272 ' N ' HD12 ' A' ' 109' ' ' LEU . . . -48.02 -40.96 24.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.332 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.11 -23.24 67.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.246 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.754 ' CG ' ' O ' ' A' ' 109' ' ' LEU . 5.5 pt20 -56.43 -52.67 63.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 110.332 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 1.193 ' CD2' ' HB2' ' A' ' 130' ' ' ALA . 2.7 p90 -66.28 -38.99 89.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.988 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.716 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 9.2 tpt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.822 ' HA ' HD11 ' A' ' 127' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.582 ' O ' ' CB ' ' A' ' 129' ' ' LYS . 7.6 p30 -69.43 -40.59 77.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.904 ' SG ' HD23 ' A' ' 127' ' ' LEU . 22.4 p -53.41 -52.83 58.1 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 108.333 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.904 HD23 ' SG ' ' A' ' 126' ' ' CYS . 0.0 OUTLIER -57.32 -69.59 0.16 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.452 ' HB1' ' CD ' ' A' ' 180' ' ' GLN . . . -49.45 -29.52 6.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.582 ' CB ' ' O ' ' A' ' 125' ' ' ASN . 0.6 OUTLIER -63.06 -28.67 70.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 1.193 ' HB2' ' CD2' ' A' ' 113' ' ' PHE . . . -68.25 -49.53 60.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.666 ' HA ' ' HE1' ' A' ' 177' ' ' PHE . 0.4 OUTLIER -41.13 -45.45 2.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 1.072 ' O ' HG23 ' A' ' 136' ' ' THR . 2.2 m-20 -66.23 -41.29 90.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.753 ' O ' ' OG1' ' A' ' 136' ' ' THR . 2.7 mm-40 -69.22 -60.75 2.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.292 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 1.078 HG23 ' CE2' ' A' ' 138' ' ' PHE . 0.2 OUTLIER -44.99 -33.66 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.664 ' O ' ' CD ' ' A' ' 139' ' ' PRO . 0.0 OUTLIER -75.86 -45.44 35.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 1.072 HG23 ' O ' ' A' ' 132' ' ' ASP . 25.4 p -53.83 -24.28 15.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.414 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.92 ' HB3' ' CE1' ' A' ' 138' ' ' PHE . . . -100.74 -52.32 3.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 1.078 ' CE2' HG23 ' A' ' 134' ' ' VAL . 0.0 OUTLIER -118.25 62.5 4.68 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 111.012 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.772 ' C ' ' HB2' ' A' ' 144' ' ' ASN . 18.5 Cg_endo -75.0 154.48 42.52 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.529 1.805 . . . . 0.0 111.017 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . 0.745 ' N ' ' CB ' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 157.45 -168.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . 0.681 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 68.9 m-20 -88.89 -103.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . 0.438 ' O ' ' CB ' ' A' ' 146' ' ' LYS . 1.8 mpt? -62.86 -32.02 73.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -67.98 -62.45 1.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . 0.772 ' HB2' ' C ' ' A' ' 139' ' ' PRO . 3.6 t30 -66.85 -57.03 7.81 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . 0.681 ' CB ' ' O ' ' A' ' 141' ' ' ASP . 81.8 m-20 -41.04 -52.23 3.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 142' ' ' MET . 18.8 ttpt -65.86 -31.19 71.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.685 ' HB1' ' HD2' ' A' ' 138' ' ' PHE . . . -61.55 -57.25 12.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' MET . . . . . 0.94 ' HE3' HD11 ' A' ' 182' ' ' LEU . 73.9 mtm -50.51 -54.52 21.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 0.0 111.006 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.493 HD12 HG22 ' A' ' 178' ' ' ILE . 0.5 OUTLIER -54.46 -41.82 69.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 0.553 HG22 ' O ' ' A' ' 147' ' ' ALA . 0.2 OUTLIER -51.65 -32.59 14.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.266 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' MET . . . . . 1.132 ' O ' ' HG ' ' A' ' 154' ' ' LEU . 4.3 mmt -62.73 -55.14 29.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' THR . . . . . 0.939 HG23 ' HA ' ' A' ' 174' ' ' THR . 0.6 OUTLIER -39.68 -46.38 1.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 110.397 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' MET . . . . . 0.622 ' O ' ' HB3' ' A' ' 157' ' ' LYS . 2.5 mpp? -70.27 -26.64 63.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 1.132 ' HG ' ' O ' ' A' ' 151' ' ' MET . 0.4 OUTLIER -64.36 -43.79 93.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 109.311 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 1.165 HD11 ' CZ ' ' A' ' 113' ' ' PHE . 0.6 OUTLIER -52.82 -60.87 2.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 0.773 ' HB1' ' CB ' ' A' ' 160' ' ' ALA . . . -61.48 -53.82 51.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.248 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.693 ' HA ' ' HB2' ' A' ' 161' ' ' SER . 1.1 tptt -48.14 -39.62 21.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . 0.646 ' O ' ' CB ' ' A' ' 162' ' ' HIS . 1.9 mmtt -68.83 -52.78 26.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' VAL . . . . . 1.093 ' CG2' ' HB3' ' A' ' 163' ' ' ALA . 0.2 OUTLIER -99.21 -70.9 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.773 ' CB ' ' HB1' ' A' ' 156' ' ' ALA . . . -32.75 -32.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . 0.693 ' HB2' ' HA ' ' A' ' 157' ' ' LYS . 0.1 OUTLIER -99.21 -13.41 19.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.998 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . 0.936 ' N ' ' O ' ' A' ' 159' ' ' VAL . 8.1 t-80 -124.35 -36.05 2.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.598 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 1.093 ' HB3' ' CG2' ' A' ' 159' ' ' VAL . . . -115.79 76.65 6.02 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' PRO . . . . . 0.492 ' HD3' ' C ' ' A' ' 162' ' ' HIS . 18.2 Cg_endo -75.0 43.78 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.488 1.783 . . . . 0.0 110.946 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . 0.419 ' H ' ' C ' ' A' ' 163' ' ' ALA . 8.2 t -136.74 33.85 2.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 109.988 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.717 HD12 HG21 ' A' ' 159' ' ' VAL . 6.8 mt -118.6 117.76 29.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . 0.709 ' C ' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -64.37 -142.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.256 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . 0.696 ' HD2' HD13 ' A' ' 167' ' ' LEU . 0.7 OUTLIER -56.4 -8.58 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.31 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . 0.466 ' H ' ' C ' ' A' ' 167' ' ' LEU . 53.2 m-20 -59.47 -58.48 8.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 170' ' ' VAL . . . . . 0.533 HG22 ' HA ' ' A' ' 156' ' ' ALA . 0.4 OUTLIER -65.24 -52.87 47.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . 1.081 ' CE1' HD22 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -54.81 -43.35 72.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 172' ' ' HIS . . . . . 0.637 ' CB ' ' O ' ' A' ' 168' ' ' ARG . 8.6 t-80 -60.59 -35.51 76.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.566 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 173' ' ' THR . . . . . 1.075 HG21 ' CB ' ' A' ' 155' ' ' LEU . 78.3 m -54.63 -58.5 7.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.419 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 174' ' ' THR . . . . . 0.939 ' HA ' HG23 ' A' ' 152' ' ' THR . 0.5 OUTLIER -55.36 -58.68 6.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.416 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 175' ' ' VAL . . . . . 1.077 HG21 ' HB ' ' A' ' 21' ' ' VAL . 0.9 OUTLIER -71.38 4.53 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 176' ' ' ASN . . . . . 0.866 ' HB3' ' O ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -80.73 -58.15 3.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 177' ' ' PHE . . . . . 0.725 ' CZ ' ' HB2' ' A' ' 151' ' ' MET . 5.4 m-85 -56.96 -51.07 70.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 111.031 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 178' ' ' ILE . . . . . 1.063 HD12 ' HA ' ' A' ' 175' ' ' VAL . 0.1 OUTLIER -54.83 -46.28 75.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 179' ' ' ASN . . . . . 0.934 ' H ' HD13 ' A' ' 178' ' ' ILE . 0.6 OUTLIER -62.24 -35.39 78.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 180' ' ' GLN . . . . . 0.814 ' N ' ' OD1' ' A' ' 179' ' ' ASN . 79.5 mm-40 -56.19 -103.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 110.322 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -124.81 4.04 8.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 182' ' ' LEU . . . . . 0.94 HD11 ' HE3' ' A' ' 148' ' ' MET . 0.3 OUTLIER -96.63 15.08 22.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.263 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 183' ' ' PHE . . . . . 0.706 ' O ' ' CG ' ' A' ' 183' ' ' PHE . 0.2 OUTLIER -35.63 113.58 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 184' ' ' SER . . . . . 0.464 ' C ' ' O ' ' A' ' 183' ' ' PHE . 52.3 m 34.75 75.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.971 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 185' ' ' TYR . . . . . 0.415 ' C ' ' O ' ' A' ' 184' ' ' SER . 2.3 t80 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.591 HG21 ' CZ ' ' A' ' 183' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 1.06 HG21 ' N ' ' A' ' 179' ' ' ASN . 3.5 m -53.59 -46.61 70.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.364 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.99 -40.06 21.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.3 OUTLIER -67.42 -27.79 67.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.028 ' CD2' HD22 ' A' ' 90' ' ' LEU . 1.4 tm? -63.81 -44.95 91.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.949 ' HB ' HG21 ' A' ' 175' ' ' VAL . 0.5 OUTLIER -61.47 -62.23 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 1.115 ' CE2' HD21 ' A' ' 35' ' ' LEU . 10.6 t80 -61.09 -33.93 74.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -77.29 -35.65 37.08 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.496 1.123 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 1.178 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 2.2 t80 -51.83 -58.85 5.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 0.79 . . . . 0.0 110.982 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 1.159 HD22 ' CE1' ' A' ' 171' ' ' PHE . 0.3 OUTLIER -58.0 -43.36 86.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -54.17 -31.95 54.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.513 ' OG ' ' HG2' ' A' ' 88' ' ' ARG . 25.8 t -69.04 -97.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 110.034 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -140.96 20.06 2.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.572 1.17 . . . . 0.0 109.993 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.609 ' HA3' ' CE1' ' A' ' 24' ' ' PHE . . . -58.0 -108.66 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.435 1.084 . . . . 0.0 110.988 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.551 ' H ' HD12 ' A' ' 25' ' ' LEU . 33.0 t -84.36 -96.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.512 ' O ' ' N ' ' A' ' 34' ' ' GLU . 7.4 m -141.88 151.31 42.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.411 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.61 -54.67 3.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 110.343 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.424 ' O ' ' HB ' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -58.67 -26.1 63.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.646 ' C ' HD23 ' A' ' 25' ' ' LEU . 2.9 tp10 -66.54 -56.88 8.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 110.314 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 1.115 HD21 ' CE2' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -44.27 -39.33 4.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.366 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 1.101 ' N ' HD13 ' A' ' 35' ' ' LEU . 27.8 tt0 -77.62 -40.16 42.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.819 HG13 HD23 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -61.29 -57.73 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 1.059 ' HB2' ' CD2' ' A' ' 171' ' ' PHE . 8.4 mt -72.49 -39.26 67.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.765 ' HA3' ' CD1' ' A' ' 22' ' ' PHE . . . -50.7 -52.21 30.4 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.5 1.125 . . . . 0.0 111.048 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.435 ' HD3' ' CE1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.512 0.772 . . . . 0.0 110.25 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 9.0 mt . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.63 ' O ' HG22 ' A' ' 86' ' ' ILE . 46.8 mm -53.74 -56.95 6.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.542 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 95.8 m-70 -54.16 -36.5 63.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.576 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -55.56 -45.92 77.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.63 HG22 ' O ' ' A' ' 83' ' ' ILE . 1.8 tp -62.55 -35.4 69.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.012 ' HA ' HD23 ' A' ' 20' ' ' LEU . . . -54.8 -47.53 73.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.513 ' HG2' ' OG ' ' A' ' 27' ' ' SER . 2.0 ttm-85 -65.02 -51.99 58.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.118 . . . . 0.0 110.312 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -59.35 -14.3 11.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.607 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 1.028 HD22 ' CD2' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -63.35 -68.07 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 1.178 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -52.42 -52.54 53.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -49.57 -32.1 11.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 110.315 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.483 ' O ' ' HB2' ' A' ' 97' ' ' MET . 0.3 OUTLIER -69.03 -35.74 70.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -60.57 -51.65 57.41 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.452 1.095 . . . . 0.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.416 ' HA ' ' HE2' ' A' ' 157' ' ' LYS . 22.0 t70 -56.81 -51.79 67.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 0.768 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 99' ' ' HIS . 2.4 mm-40 -63.45 -38.48 91.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.621 ' CE ' HD11 ' A' ' 150' ' ' ILE . 0.0 OUTLIER -50.63 -38.4 45.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.471 ' HB2' ' CE ' ' A' ' 157' ' ' LYS . 28.6 t70 -47.47 -50.73 22.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.429 ' HB2' ' O ' ' A' ' 96' ' ' GLU . 0.8 OUTLIER -43.25 -37.94 2.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.576 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 97' ' ' MET . 0.4 OUTLIER -146.88 87.14 1.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.893 HD12 ' HB2' ' A' ' 107' ' ' ARG . 0.1 OUTLIER -132.92 97.73 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.155 . . . . 0.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.951 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 6.4 mt-30 158.94 47.48 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.951 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.2 Cg_endo -74.99 71.21 5.08 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.5 1.79 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.657 ' CB ' ' O ' ' A' ' 103' ' ' PRO . 3.5 m 93.93 5.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.44 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.651 ' CB ' ' O ' ' A' ' 104' ' ' THR . 0.3 OUTLIER 101.14 28.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 1.305 HG22 ' CD2' ' A' ' 138' ' ' PHE . 0.9 OUTLIER -62.33 -70.56 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.893 ' HB2' HD12 ' A' ' 101' ' ' ILE . 0.0 OUTLIER -50.8 -40.6 55.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.499 ' HB3' ' CD2' ' A' ' 105' ' ' LEU . 2.8 tp60 -62.4 -26.07 68.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.823 ' C ' HD13 ' A' ' 109' ' ' LEU . 0.9 OUTLIER -64.13 -73.46 0.12 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 1.07 ' O ' ' CD2' ' A' ' 113' ' ' PHE . . . -50.31 -34.15 22.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.06 -26.03 65.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 109' ' ' LEU . 0.5 OUTLIER -53.13 -60.11 3.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.281 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 1.194 ' CD2' ' HB2' ' A' ' 130' ' ' ALA . 4.3 p90 -57.36 -42.7 82.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 111.052 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.893 ' CG ' HD23 ' A' ' 155' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.577 1.173 . . . . 0.0 111.022 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.802 ' HA ' HD11 ' A' ' 127' ' ' LEU . 9.3 ttt-85 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.542 ' O ' ' CB ' ' A' ' 129' ' ' LYS . 15.2 m120 -69.96 -44.93 68.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.349 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.615 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 0.5 OUTLIER -52.83 -56.76 13.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 108.314 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.872 HD12 ' HB3' ' A' ' 176' ' ' ASN . 0.0 OUTLIER -54.9 -70.11 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -47.4 -30.67 3.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.615 ' HB2' ' O ' ' A' ' 126' ' ' CYS . 38.7 mttt -58.81 -31.61 68.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 1.194 ' HB2' ' CD2' ' A' ' 113' ' ' PHE . . . -73.44 -45.26 55.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.708 ' N ' ' CZ ' ' A' ' 177' ' ' PHE . 0.3 OUTLIER -42.19 -44.85 3.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.974 ' O ' ' HB ' ' A' ' 136' ' ' THR . 1.2 m-20 -68.08 -50.53 54.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.806 ' HB3' HD21 ' A' ' 109' ' ' LEU . 0.3 OUTLIER -54.81 -61.18 2.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 1.121 HG23 ' CE2' ' A' ' 138' ' ' PHE . 0.2 OUTLIER -52.92 -40.43 36.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.526 ' HG2' ' O ' ' A' ' 135' ' ' LYS . 0.1 OUTLIER -85.06 11.06 10.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.974 ' HB ' ' O ' ' A' ' 132' ' ' ASP . 0.6 OUTLIER -126.14 -16.91 5.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.392 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.601 ' HB3' ' CD1' ' A' ' 138' ' ' PHE . . . -101.57 -51.68 3.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 1.305 ' CD2' HG22 ' A' ' 106' ' ' VAL . 0.1 OUTLIER -125.39 59.8 27.1 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 111.038 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.565 ' HA ' ' HB2' ' A' ' 144' ' ' ASN . 18.4 Cg_endo -74.92 159.9 41.04 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.485 1.782 . . . . 0.0 111.019 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . 0.835 ' C ' ' ND2' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 172.48 -142.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 110.275 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . 0.643 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 81.9 m-20 -108.72 -103.89 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . 0.494 ' CB ' ' OH ' ' A' ' 185' ' ' TYR . 6.6 ttm -70.17 -31.9 69.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' A' ' 146' ' ' LYS . 5.9 tt0 -66.76 -60.59 2.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . 0.97 ' ND2' ' H ' ' A' ' 145' ' ' ASP . 0.1 OUTLIER -65.81 -53.6 37.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . 0.97 ' H ' ' ND2' ' A' ' 144' ' ' ASN . 36.0 m-20 -40.83 -55.76 2.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.435 ' HG3' ' N ' ' A' ' 147' ' ' ALA . 5.6 ptpt -62.68 -31.81 72.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.597 ' HB3' ' O ' ' A' ' 144' ' ' ASN . . . -61.14 -55.04 36.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' MET . . . . . 0.705 ' HA ' ' HG2' ' A' ' 151' ' ' MET . 1.2 mtp -49.43 -55.37 13.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.743 HD11 HD11 ' A' ' 90' ' ' LEU . 7.2 tt -53.95 -44.04 70.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.575 1.172 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 0.788 HG21 HD11 ' A' ' 101' ' ' ILE . 50.8 mt -53.72 -31.95 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' MET . . . . . 0.801 ' HB2' ' CE2' ' A' ' 177' ' ' PHE . 0.1 OUTLIER -56.05 -56.0 26.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' THR . . . . . 0.868 ' HB ' ' HA ' ' A' ' 174' ' ' THR . 27.7 p -56.21 -52.07 65.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 110.396 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' MET . . . . . 0.866 ' HE1' HD11 ' A' ' 20' ' ' LEU . 10.4 mmt -65.98 -21.39 66.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 1.08 ' C ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -60.79 -60.44 3.79 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 1.055 HD21 ' CZ ' ' A' ' 113' ' ' PHE . 4.9 mp -50.35 -46.22 55.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 1.143 ' O ' ' O ' ' A' ' 159' ' ' VAL . . . -62.55 -54.09 45.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.477 ' CD ' ' C ' ' A' ' 157' ' ' LYS . 0.1 OUTLIER -46.32 -50.85 15.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . 0.801 ' HG3' HG23 ' A' ' 159' ' ' VAL . 18.5 ptmt -74.62 -52.74 10.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' VAL . . . . . 1.143 ' O ' ' O ' ' A' ' 156' ' ' ALA . 87.7 t -92.97 159.47 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.988 ' HB3' HG11 ' A' ' 170' ' ' VAL . . . 64.62 -53.75 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . 0.591 ' N ' ' O ' ' A' ' 159' ' ' VAL . 0.1 OUTLIER -86.18 -11.08 53.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.021 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . 0.622 ' CB ' ' O ' ' A' ' 158' ' ' LYS . 0.0 OUTLIER -148.55 -36.06 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.597 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 1.017 ' HB3' ' HA ' ' A' ' 159' ' ' VAL . . . -113.67 94.65 33.66 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 58.77 4.98 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.529 1.805 . . . . 0.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . 0.566 ' O ' HD22 ' A' ' 166' ' ' LEU . 75.6 p -102.88 -69.25 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.003 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.566 HD22 ' O ' ' A' ' 165' ' ' SER . 3.7 mm? -124.05 63.87 1.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . 0.996 ' HB2' HD21 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -50.64 -28.85 9.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . 0.687 ' H ' HD12 ' A' ' 167' ' ' LEU . 0.1 OUTLIER -62.64 -50.6 70.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . 0.641 ' N ' ' HG3' ' A' ' 168' ' ' ARG . 6.8 t70 -65.98 -33.41 75.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 170' ' ' VAL . . . . . 0.988 HG11 ' HB3' ' A' ' 160' ' ' ALA . 1.0 OUTLIER -56.79 -65.36 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . 1.159 ' CE1' HD22 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -48.51 -52.38 22.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 172' ' ' HIS . . . . . 0.651 ' O ' ' OD1' ' A' ' 176' ' ' ASN . 1.9 t60 -65.15 -24.49 67.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 109.587 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 173' ' ' THR . . . . . 1.255 ' C ' ' OD1' ' A' ' 176' ' ' ASN . 1.4 m -76.32 -7.32 54.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.398 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 174' ' ' THR . . . . . 0.999 ' OG1' ' O ' ' A' ' 171' ' ' PHE . 0.6 OUTLIER -94.58 -58.42 2.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 110.417 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 175' ' ' VAL . . . . . 0.949 HG21 ' HB ' ' A' ' 21' ' ' VAL . 5.0 t -75.18 26.03 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.339 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 176' ' ' ASN . . . . . 1.255 ' OD1' ' C ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -85.96 -65.64 0.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.295 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 177' ' ' PHE . . . . . 0.839 ' HZ ' ' HB3' ' A' ' 130' ' ' ALA . 2.3 m-30 -61.27 -53.82 51.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.542 1.151 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 178' ' ' ILE . . . . . 0.768 HD12 ' O ' ' A' ' 174' ' ' THR . 1.5 mt -52.28 -43.39 39.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 179' ' ' ASN . . . . . 1.06 ' N ' HG21 ' A' ' 17' ' ' THR . 6.7 t-20 -66.28 -38.55 88.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 180' ' ' GLN . . . . . 0.578 ' O ' ' O ' ' A' ' 179' ' ' ASN . 1.5 tt0 -41.37 -104.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.27 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.447 ' CB ' ' NE2' ' A' ' 180' ' ' GLN . 58.9 t30 -129.81 3.44 4.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 182' ' ' LEU . . . . . 0.605 ' CD2' ' CE ' ' A' ' 148' ' ' MET . 0.8 OUTLIER -93.49 16.36 13.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.342 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 183' ' ' PHE . . . . . 0.591 ' CZ ' HG21 ' A' ' 16' ' ' ILE . 49.2 t80 -29.0 95.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 110.997 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 184' ' ' SER . . . . . 0.467 ' H ' HG23 ' A' ' 178' ' ' ILE . 3.9 t 58.14 88.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.994 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 185' ' ' TYR . . . . . 0.497 ' C ' ' CD1' ' A' ' 185' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.573 HD12 HG12 ' A' ' 83' ' ' ILE . 15.3 mm . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.802 HG23 HG13 ' A' ' 175' ' ' VAL . 1.1 m -55.48 -75.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.356 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.463 ' N ' HG22 ' A' ' 17' ' ' THR . 1.0 OUTLIER -49.78 -34.69 20.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.677 HD21 ' HA ' ' A' ' 84' ' ' HIS . 1.2 tp -58.02 -33.58 69.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.114 ' CD2' HD22 ' A' ' 90' ' ' LEU . 1.0 OUTLIER -65.55 -43.39 90.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.906 ' HB ' HG21 ' A' ' 175' ' ' VAL . 0.5 OUTLIER -62.99 -62.96 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.727 ' CE1' ' HB3' ' A' ' 35' ' ' LEU . 3.6 t80 -64.65 -30.89 71.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 111.023 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.557 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -72.24 -41.88 51.87 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 1.226 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 0.3 OUTLIER -53.89 -52.46 60.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 0.724 . . . . 0.0 111.014 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 1.035 HD22 ' CE1' ' A' ' 171' ' ' PHE . 3.0 tp -56.24 -43.21 78.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.577 ' CA ' HD21 ' A' ' 35' ' ' LEU . 0.4 OUTLIER -55.51 -36.62 66.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.269 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.546 ' OG ' ' O ' ' A' ' 88' ' ' ARG . 0.2 OUTLIER -60.38 -62.3 1.96 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.579 ' O ' ' C ' ' A' ' 29' ' ' GLY . 0.5 OUTLIER -142.5 -71.58 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.967 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.769 ' HA3' HD12 ' A' ' 25' ' ' LEU . . . 21.35 -120.47 0.01 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.536 1.148 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.685 ' HB3' ' CB ' ' A' ' 34' ' ' GLU . 44.7 t -99.28 -110.37 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.515 ' H ' ' HB2' ' A' ' 34' ' ' GLU . 15.3 t -141.85 175.98 9.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.416 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.532 ' HA ' HD13 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -47.18 -52.95 14.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 110.277 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.723 ' O ' HG23 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -50.16 -32.05 15.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.265 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.685 ' CB ' ' HB3' ' A' ' 30' ' ' CYS . 0.7 OUTLIER -67.75 -53.3 28.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.789 ' HG ' ' HB3' ' A' ' 25' ' ' LEU . 6.4 mp -44.94 -37.25 3.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -65.76 -49.43 68.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 33' ' ' GLN . 2.0 t -63.85 -60.52 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.98 HD21 ' HG ' ' A' ' 167' ' ' LEU . 9.0 mt -64.98 -45.71 84.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.664 ' HA3' ' O ' ' A' ' 35' ' ' LEU . . . -49.73 -45.19 39.39 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.526 1.141 . . . . 0.0 110.979 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.511 0.771 . . . . 0.0 110.277 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 7.9 pt . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.64 HG23 ' CD2' ' A' ' 84' ' ' HIS . 2.4 tt -50.86 -48.5 28.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.677 ' HA ' HD21 ' A' ' 19' ' ' LEU . 13.5 m-70 -62.47 -47.25 84.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.613 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -51.67 -42.35 62.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.494 HG22 ' O ' ' A' ' 83' ' ' ILE . 0.8 OUTLIER -61.51 -39.8 84.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.766 ' HB1' ' HA ' ' A' ' 20' ' ' LEU . . . -50.32 -47.65 55.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.568 HH21 ' HB3' ' A' ' 84' ' ' HIS . 1.0 OUTLIER -66.0 -37.07 84.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.519 ' CD2' HG12 ' A' ' 93' ' ' ILE . 13.0 t-80 -54.18 -25.24 21.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.621 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 1.114 HD22 ' CD2' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -55.54 -63.52 1.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 1.226 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -55.76 -56.19 23.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.93 -31.81 7.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.519 HG12 ' CD2' ' A' ' 89' ' ' HIS . 1.0 OUTLIER -70.53 -31.41 46.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.609 ' HA2' ' CE ' ' A' ' 153' ' ' MET . . . -61.73 -52.59 49.71 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.124 . . . . 0.0 110.965 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -58.97 -52.58 65.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 0.751 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.43 -38.74 90.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.97 ' HB3' HD12 ' A' ' 101' ' ' ILE . 2.8 mmt -50.54 -41.64 54.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 97' ' ' MET . 39.0 t0 -38.92 -29.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.478 ' N ' ' C ' ' A' ' 97' ' ' MET . 62.7 t60 -39.14 -64.1 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.597 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -144.21 89.66 2.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 1.164 HD11 ' CG2' ' A' ' 150' ' ' ILE . 1.5 tt -128.44 84.7 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.851 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 0.8 OUTLIER 151.72 54.12 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.851 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.3 Cg_endo -74.98 10.07 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.508 1.794 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.719 ' O ' ' CB ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER 165.96 4.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.349 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.719 ' CB ' ' O ' ' A' ' 104' ' ' THR . 0.8 OUTLIER 108.77 39.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 1.07 HG22 ' CD1' ' A' ' 138' ' ' PHE . 1.8 t -69.4 -83.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.855 ' N ' HG12 ' A' ' 106' ' ' VAL . 0.8 OUTLIER -52.95 -29.95 31.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.299 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.534 ' HB3' ' HG ' ' A' ' 105' ' ' LEU . 1.9 tt0 -65.55 -32.12 73.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.274 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 1.368 HD12 ' N ' ' A' ' 110' ' ' ALA . 0.0 OUTLIER -64.17 -58.89 5.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 1.368 ' N ' HD12 ' A' ' 109' ' ' LEU . . . -47.83 -49.2 29.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.512 ' HB2' HD11 ' A' ' 154' ' ' LEU . . . -62.6 -19.79 64.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.919 ' NE2' HD13 ' A' ' 109' ' ' LEU . 3.2 pt20 -57.76 -48.0 80.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.27 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 1.17 ' CD2' ' O ' ' A' ' 110' ' ' ALA . 3.8 p90 -64.93 -38.61 91.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.822 ' HG3' HD23 ' A' ' 155' ' ' LEU . 8.4 ttp . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.972 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.637 ' HA ' HD11 ' A' ' 127' ' ' LEU . 54.1 mtt-85 . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.473 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 60.8 t30 -70.53 -39.71 73.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 17.6 m -50.62 -56.52 11.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 108.316 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.87 ' HA ' ' CZ ' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -50.58 -67.37 0.26 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.128 . . . . 0.0 109.285 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -45.77 -30.65 1.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' A' ' 125' ' ' ASN . 0.5 OUTLIER -63.51 -26.31 68.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 1.113 ' HB2' ' CD2' ' A' ' 113' ' ' PHE . . . -72.02 -48.68 42.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.694 ' N ' ' CZ ' ' A' ' 177' ' ' PHE . 0.2 OUTLIER -42.53 -44.96 4.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 1.033 ' O ' HG23 ' A' ' 136' ' ' THR . 0.2 OUTLIER -67.39 -40.65 85.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.888 ' O ' ' OG1' ' A' ' 136' ' ' THR . 56.8 mt-10 -68.91 -62.87 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 110.335 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 1.142 HG23 ' CD2' ' A' ' 138' ' ' PHE . 0.1 OUTLIER -42.45 -33.53 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.573 ' O ' ' CD ' ' A' ' 139' ' ' PRO . 0.0 OUTLIER -75.39 -42.76 53.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 1.033 HG23 ' O ' ' A' ' 132' ' ' ASP . 22.8 p -52.18 -28.13 17.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.437 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.864 ' HB3' ' CE1' ' A' ' 138' ' ' PHE . . . -102.42 -52.73 3.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 1.142 ' CD2' HG23 ' A' ' 134' ' ' VAL . 0.0 OUTLIER -120.58 69.29 16.01 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.758 ' CA ' ' HB2' ' A' ' 144' ' ' ASN . 18.3 Cg_endo -75.01 -172.89 1.38 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.467 1.772 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . 0.729 ' CB ' ' O ' ' A' ' 139' ' ' PRO . 1.3 mtm-85 107.1 -174.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . 0.728 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 0.1 OUTLIER -91.17 -98.77 0.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . 0.479 ' HA ' ' CE2' ' A' ' 185' ' ' TYR . 0.0 OUTLIER -48.15 -33.94 9.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 111.001 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . 0.469 ' CB ' ' HD2' ' A' ' 140' ' ' ARG . 0.5 OUTLIER -71.92 -66.72 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.261 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . 0.788 ' HB2' ' O ' ' A' ' 138' ' ' PHE . 0.7 OUTLIER -73.26 -58.55 3.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . 0.728 ' CB ' ' O ' ' A' ' 141' ' ' ASP . 10.4 t0 -34.84 -52.46 0.54 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.64 -36.8 70.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.72 ' HA ' HD12 ' A' ' 150' ' ' ILE . . . -63.06 -57.29 11.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' MET . . . . . 0.859 ' HG3' ' N ' ' A' ' 149' ' ' LEU . 0.1 OUTLIER -50.75 -47.08 59.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.859 ' N ' ' HG3' ' A' ' 148' ' ' MET . 1.0 OUTLIER -54.26 -39.19 66.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 1.164 ' CG2' HD11 ' A' ' 101' ' ' ILE . 42.1 mt -59.56 -33.56 52.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.336 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' MET . . . . . 0.839 ' O ' HD12 ' A' ' 155' ' ' LEU . 2.3 mmm -55.84 -54.15 48.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' THR . . . . . 0.967 HG21 ' HB2' ' A' ' 177' ' ' PHE . 30.9 p -54.13 -52.45 61.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.413 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' MET . . . . . 0.741 ' CE ' HG23 ' A' ' 150' ' ' ILE . 6.5 tmm? -60.68 -29.65 69.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 0.0 111.038 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 1.105 ' C ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -55.12 -55.7 28.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.348 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 1.074 HD21 ' CZ ' ' A' ' 113' ' ' PHE . 4.8 mp -51.07 -47.03 61.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 1.1 ' O ' ' O ' ' A' ' 159' ' ' VAL . . . -65.14 -53.73 40.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.66 -51.95 11.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . 0.863 ' O ' ' N ' ' A' ' 163' ' ' ALA . 28.8 mmmt -76.01 -51.31 12.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' VAL . . . . . 1.1 ' O ' ' O ' ' A' ' 156' ' ' ALA . 48.0 t -92.59 154.38 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.809 ' CB ' HG11 ' A' ' 170' ' ' VAL . . . 69.77 -48.91 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . 0.474 ' H ' ' C ' ' A' ' 159' ' ' VAL . 0.3 OUTLIER -93.85 -8.44 40.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.994 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . 0.57 ' CB ' ' O ' ' A' ' 158' ' ' LYS . 0.2 OUTLIER -153.88 -36.27 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.596 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 0.968 ' HB3' ' HA ' ' A' ' 159' ' ' VAL . . . -112.6 97.34 40.32 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 45.58 1.37 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.46 1.769 . . . . 0.0 110.982 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 1.2 m -103.8 -34.05 8.69 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.96 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 1.026 HD12 HG11 ' A' ' 159' ' ' VAL . 0.1 OUTLIER -133.87 92.42 2.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . 0.98 ' HG ' HD21 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -75.68 -80.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.319 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . 0.626 ' HA ' ' HA ' ' A' ' 38' ' ' LEU . 2.8 ptt180 -53.85 -38.76 65.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 0.0 110.329 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . 0.503 ' N ' ' HG3' ' A' ' 168' ' ' ARG . 0.3 OUTLIER -60.16 -42.02 94.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 170' ' ' VAL . . . . . 0.809 HG11 ' CB ' ' A' ' 160' ' ' ALA . 1.1 t -53.32 -56.33 8.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . 1.035 ' CE1' HD22 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -51.22 -53.85 31.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 172' ' ' HIS . . . . . 0.55 ' O ' ' CB ' ' A' ' 176' ' ' ASN . 37.0 t-80 -51.42 -26.43 7.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.625 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 173' ' ' THR . . . . . 0.929 HG21 ' HB2' ' A' ' 155' ' ' LEU . 1.0 OUTLIER -61.25 -59.08 5.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.414 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 174' ' ' THR . . . . . 0.549 ' HA ' ' CB ' ' A' ' 152' ' ' THR . 31.0 p -54.65 -57.79 10.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.388 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 175' ' ' VAL . . . . . 0.906 HG21 ' HB ' ' A' ' 21' ' ' VAL . 2.9 t -75.58 9.7 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 176' ' ' ASN . . . . . 0.865 ' HB2' HD12 ' A' ' 127' ' ' LEU . 0.0 OUTLIER -79.64 -55.64 4.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 177' ' ' PHE . . . . . 0.967 ' HB2' HG21 ' A' ' 152' ' ' THR . 4.1 m-30 -64.62 -53.85 41.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 178' ' ' ILE . . . . . 0.752 HD11 HG23 ' A' ' 17' ' ' THR . 0.0 OUTLIER -54.22 -47.07 68.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 179' ' ' ASN . . . . . 0.556 ' CB ' ' O ' ' A' ' 175' ' ' VAL . 9.8 t-20 -65.35 -39.75 92.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 38.1 mm-40 -78.61 -6.91 56.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.085 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 177' ' ' PHE . 5.0 t-20 -94.72 -140.08 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 182' ' ' LEU . . . . . 0.474 ' HG ' ' OD1' ' A' ' 181' ' ' ASN . 0.0 OUTLIER -89.59 -39.16 13.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 183' ' ' PHE . . . . . 0.552 ' CZ ' ' HB ' ' A' ' 16' ' ' ILE . 12.5 t80 -178.21 -54.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 2.2 t 167.8 129.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.997 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 185' ' ' TYR . . . . . 0.509 ' CD1' ' CG ' ' A' ' 145' ' ' ASP . 2.1 t80 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.481 HD13 ' HA ' ' A' ' 16' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.882 HG22 HG13 ' A' ' 175' ' ' VAL . 1.7 m -52.72 -45.54 67.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 110.398 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -49.63 -43.04 46.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.528 ' O ' ' N ' ' A' ' 23' ' ' GLY . 1.9 mm? -66.99 -25.36 66.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.14 ' CD1' HD22 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -64.85 -49.23 71.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.97 ' HB ' HG21 ' A' ' 175' ' ' VAL . 0.4 OUTLIER -61.58 -60.16 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.169 . . . . 0.0 109.318 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.762 ' CD2' ' HA3' ' A' ' 39' ' ' GLY . 3.2 t80 -61.83 -32.76 73.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 111.014 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -75.05 -36.86 45.0 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.545 1.153 . . . . 0.0 110.961 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 1.211 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 0.7 OUTLIER -53.41 -57.68 9.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 0.776 . . . . 0.0 111.028 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.988 HD22 ' CE1' ' A' ' 171' ' ' PHE . 1.5 tp -57.41 -44.44 84.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.605 ' HG3' ' N ' ' A' ' 27' ' ' SER . 0.1 OUTLIER -54.76 -31.13 58.22 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.605 ' N ' ' HG3' ' A' ' 26' ' ' GLN . 30.9 t -72.0 -93.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.034 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.07 55.15 1.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.029 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.655 ' HA3' HD12 ' A' ' 25' ' ' LEU . . . -99.82 -87.1 1.93 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 111.053 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.486 ' CB ' ' HG2' ' A' ' 34' ' ' GLU . 32.6 t -115.66 -102.07 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.423 ' N ' ' SG ' ' A' ' 30' ' ' CYS . 19.2 p -141.1 162.6 35.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.428 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.441 ' O ' HD22 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -49.25 -57.23 7.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -54.88 -26.58 36.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.299 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.515 ' C ' HD23 ' A' ' 25' ' ' LEU . 3.9 tp10 -68.45 -55.67 11.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.276 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 1.09 HD23 ' N ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -48.64 -31.07 6.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 1.09 ' N ' HD23 ' A' ' 35' ' ' LEU . 1.4 tt0 -69.38 -48.33 61.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.97 HG13 HD23 ' A' ' 167' ' ' LEU . 0.3 OUTLIER -66.01 -56.67 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 109.323 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 1.009 HD22 ' O ' ' A' ' 167' ' ' LEU . 18.0 mt -66.16 -42.4 89.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.762 ' HA3' ' CD2' ' A' ' 22' ' ' PHE . . . -48.76 -43.66 29.94 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.75 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.416 ' O ' HG23 ' A' ' 86' ' ' ILE . 1.5 pp . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.469 ' CD1' HD11 ' A' ' 16' ' ' ILE . 9.8 pt -53.67 -54.79 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.522 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 85.1 m-70 -60.03 -30.87 69.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.618 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -55.6 -46.92 77.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.346 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.799 HD12 ' C ' ' A' ' 86' ' ' ILE . 0.3 OUTLIER -63.18 -37.39 79.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.342 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.883 ' HB1' ' HA ' ' A' ' 20' ' ' LEU . . . -51.98 -48.18 64.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.497 ' CB ' ' HB2' ' A' ' 27' ' ' SER . 0.6 OUTLIER -65.44 -43.08 91.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.788 ' NE2' HD11 ' A' ' 93' ' ' ILE . 85.8 t60 -60.46 -13.42 13.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.618 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 1.14 HD22 ' CD1' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -63.67 -63.91 1.04 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 1.211 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -57.85 -54.29 48.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.503 ' HG3' ' N ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -47.99 -37.05 13.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.269 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.947 HG22 ' SD ' ' A' ' 153' ' ' MET . 4.9 mm -70.77 -31.69 46.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.5 ' N ' ' SD ' ' A' ' 153' ' ' MET . . . -57.82 -53.96 41.13 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.465 1.103 . . . . 0.0 111.032 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -64.63 -45.68 85.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 0.0 109.296 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -58.18 -47.4 83.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.598 ' SD ' HD13 ' A' ' 150' ' ' ILE . 3.1 tpt -57.78 -36.06 71.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.528 ' HA ' HD11 ' A' ' 101' ' ' ILE . 28.1 t0 -38.78 -30.45 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.459 ' N ' ' C ' ' A' ' 97' ' ' MET . 55.2 t-80 -36.84 -69.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.596 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -146.06 87.95 1.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.953 HG22 ' HB2' ' A' ' 107' ' ' ARG . 6.1 mt -98.03 76.49 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.824 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 2.1 mt-30 161.18 52.63 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.312 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.824 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.2 Cg_endo -75.03 -19.79 17.43 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.534 1.807 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.878 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 40.8 p -152.01 8.0 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.404 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.878 ' HB2' ' O ' ' A' ' 104' ' ' THR . 0.3 OUTLIER 104.76 30.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 1.039 ' O ' ' CD1' ' A' ' 109' ' ' LEU . 1.0 OUTLIER -65.87 -56.3 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.319 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.953 ' HB2' HG22 ' A' ' 101' ' ' ILE . 0.1 OUTLIER -69.73 -14.86 63.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.337 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.419 ' O ' ' N ' ' A' ' 112' ' ' GLN . 2.5 tm0? -63.22 -65.48 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.279 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 1.039 ' CD1' ' O ' ' A' ' 106' ' ' VAL . 0.0 OUTLIER -56.04 -58.74 6.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.857 ' O ' ' CD2' ' A' ' 113' ' ' PHE . . . -50.2 -54.2 22.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.791 ' CB ' ' O ' ' A' ' 107' ' ' ARG . . . -63.21 -18.76 63.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.786 ' HG2' ' N ' ' A' ' 113' ' ' PHE . 0.4 OUTLIER -61.3 -49.27 77.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 110.291 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 1.025 ' CE1' HD12 ' A' ' 127' ' ' LEU . 2.1 p90 -68.43 -36.13 78.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.83 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 111.039 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 1.096 ' O ' HD22 ' A' ' 127' ' ' LEU . 7.0 mmt85 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.626 ' O ' ' N ' ' A' ' 129' ' ' LYS . 4.9 p30 -55.56 -27.43 49.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.459 ' O ' ' CG ' ' A' ' 113' ' ' PHE . 0.8 OUTLIER -46.63 -56.92 5.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 108.324 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 1.096 HD22 ' O ' ' A' ' 124' ' ' ARG . 0.0 OUTLIER -54.73 -57.11 12.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.712 ' HB2' ' OD1' ' A' ' 176' ' ' ASN . . . -57.37 -27.58 62.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.626 ' N ' ' O ' ' A' ' 125' ' ' ASN . 2.9 ttpt -59.0 -33.13 70.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 1.009 ' HB2' ' CD2' ' A' ' 113' ' ' PHE . . . -71.53 -39.09 70.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.364 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.76 ' C ' HD12 ' A' ' 131' ' ' LEU . 0.2 OUTLIER -47.42 -51.55 19.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.629 ' O ' HG23 ' A' ' 136' ' ' THR . 2.4 m-20 -72.24 -51.28 21.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.514 ' O ' ' OG1' ' A' ' 136' ' ' THR . 4.8 mm-40 -70.28 -61.4 1.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 1.14 HG22 ' CZ ' ' A' ' 138' ' ' PHE . 0.3 OUTLIER -49.26 -22.05 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.092 . . . . 0.0 109.276 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.694 ' O ' ' CD ' ' A' ' 139' ' ' PRO . 7.7 ttpt -75.55 -46.95 28.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.629 HG23 ' O ' ' A' ' 132' ' ' ASP . 67.2 p -43.42 -24.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.385 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.881 ' HB3' ' CE1' ' A' ' 138' ' ' PHE . . . -90.13 -48.05 7.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 1.14 ' CZ ' HG22 ' A' ' 134' ' ' VAL . 0.0 OUTLIER -118.12 53.48 1.69 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 111.01 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.739 ' HD3' ' C ' ' A' ' 137' ' ' ALA . 18.4 Cg_endo -75.01 121.0 6.3 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.44 1.758 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . 0.595 ' CB ' ' HB2' ' A' ' 144' ' ' ASN . 2.8 tpt180 175.32 -152.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . 0.697 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 2.3 m-20 -105.39 -148.24 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . 0.613 ' HA ' ' CZ ' ' A' ' 185' ' ' TYR . 4.3 ptt? -45.12 -27.11 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.949 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -74.8 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.252 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . 0.876 ' N ' HD22 ' A' ' 144' ' ' ASN . 0.8 OUTLIER -79.76 -45.06 19.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . 0.697 ' CB ' ' O ' ' A' ' 141' ' ' ASP . 51.0 t0 -36.69 -46.03 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.668 ' CB ' ' OH ' ' A' ' 185' ' ' TYR . 0.6 OUTLIER -50.82 -33.24 22.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.706 ' N ' ' O ' ' A' ' 144' ' ' ASN . . . -57.89 -57.77 11.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' MET . . . . . 0.62 ' HG3' ' N ' ' A' ' 149' ' ' LEU . 0.1 OUTLIER -53.48 -46.66 70.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 111.01 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 1.007 HD11 HD11 ' A' ' 90' ' ' LEU . 8.6 tp -59.8 -42.25 93.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 0.598 HD13 ' SD ' ' A' ' 97' ' ' MET . 2.0 mt -50.33 -30.68 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' MET . . . . . 1.098 ' HG3' HG21 ' A' ' 134' ' ' VAL . 2.4 mmm -63.85 -48.42 76.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 110.977 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' THR . . . . . 0.834 ' OG1' ' O ' ' A' ' 174' ' ' THR . 0.6 OUTLIER -46.65 -50.44 17.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.446 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' MET . . . . . 0.947 ' SD ' HG22 ' A' ' 93' ' ' ILE . 11.3 ptp -71.53 -20.9 61.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.974 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 1.126 HD13 HD13 ' A' ' 155' ' ' LEU . 0.0 OUTLIER -59.72 -58.31 9.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 1.126 HD13 HD13 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -52.35 -60.64 2.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 0.987 ' HA ' HG22 ' A' ' 170' ' ' VAL . . . -54.1 -44.61 71.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.485 ' CB ' ' O ' ' A' ' 153' ' ' MET . 19.0 tptt -47.83 -59.11 3.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . 0.91 ' O ' ' N ' ' A' ' 162' ' ' HIS . 0.0 OUTLIER -78.63 -56.56 4.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' VAL . . . . . 0.95 ' CG1' ' HB3' ' A' ' 163' ' ' ALA . 59.4 t -42.35 -51.51 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.676 ' HB2' ' O ' ' A' ' 156' ' ' ALA . . . -31.86 -49.59 0.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.15 -10.07 9.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.016 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . 0.91 ' N ' ' O ' ' A' ' 158' ' ' LYS . 5.7 t60 -87.45 -44.95 10.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.605 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 0.95 ' HB3' ' CG1' ' A' ' 159' ' ' VAL . . . -119.89 68.19 12.13 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' PRO . . . . . 0.583 ' HD3' ' C ' ' A' ' 162' ' ' HIS . 18.2 Cg_endo -74.98 45.59 1.37 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.54 1.811 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . 0.604 ' C ' HD23 ' A' ' 166' ' ' LEU . 0.6 OUTLIER -121.27 -46.05 2.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.988 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.604 HD23 ' C ' ' A' ' 165' ' ' SER . 5.6 mt -105.85 54.23 0.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . 1.009 ' O ' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -43.62 -55.51 4.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.092 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . 0.946 ' N ' HD22 ' A' ' 167' ' ' LEU . 0.5 OUTLIER -54.57 -41.82 70.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 110.307 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . 0.497 ' CB ' ' HB3' ' A' ' 166' ' ' LEU . 7.1 t70 -63.54 -38.46 91.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 170' ' ' VAL . . . . . 0.987 HG22 ' HA ' ' A' ' 156' ' ' ALA . 0.4 OUTLIER -46.84 -53.96 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . 0.988 ' CE1' HD22 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -61.76 -42.57 99.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 172' ' ' HIS . . . . . 0.648 ' O ' ' CB ' ' A' ' 176' ' ' ASN . 31.1 t60 -61.04 -31.18 70.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.566 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 173' ' ' THR . . . . . 1.072 HG21 ' HB2' ' A' ' 155' ' ' LEU . 6.7 m -65.01 -49.61 69.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 110.384 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 174' ' ' THR . . . . . 0.9 HG23 ' O ' ' A' ' 171' ' ' PHE . 0.4 OUTLIER -61.35 -62.89 1.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.377 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 175' ' ' VAL . . . . . 0.97 HG21 ' HB ' ' A' ' 21' ' ' VAL . 2.3 t -71.53 5.73 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 176' ' ' ASN . . . . . 0.732 ' HB3' ' O ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -73.85 -56.75 4.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 177' ' ' PHE . . . . . 0.847 ' CZ ' ' HB2' ' A' ' 151' ' ' MET . 13.8 m-85 -51.19 -55.59 17.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 178' ' ' ILE . . . . . 0.569 HD13 ' HG ' ' A' ' 20' ' ' LEU . 0.9 OUTLIER -59.48 -43.42 90.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 179' ' ' ASN . . . . . 0.471 ' OD1' ' C ' ' A' ' 179' ' ' ASN . 5.1 t-20 -59.55 -37.79 79.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 180' ' ' GLN . . . . . 0.441 ' HB3' ' CD2' ' A' ' 131' ' ' LEU . 1.8 mm-40 -94.83 -0.98 53.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.583 ' CG ' ' H ' ' A' ' 182' ' ' LEU . 7.0 t-20 -95.0 -145.04 0.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 182' ' ' LEU . . . . . 0.583 ' H ' ' CG ' ' A' ' 181' ' ' ASN . 0.0 OUTLIER -94.79 42.69 1.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 183' ' ' PHE . . . . . 0.618 ' O ' ' CB ' ' A' ' 184' ' ' SER . 1.7 t80 22.5 99.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 111.03 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 184' ' ' SER . . . . . 0.618 ' CB ' ' O ' ' A' ' 183' ' ' PHE . 1.4 m 95.28 90.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 109.983 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 185' ' ' TYR . . . . . 0.668 ' OH ' ' CB ' ' A' ' 146' ' ' LYS . 20.4 t80 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.655 HD11 HG13 ' A' ' 83' ' ' ILE . 3.4 tp . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 1.032 HG23 HG13 ' A' ' 175' ' ' VAL . 0.6 OUTLIER -54.64 -65.44 0.58 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.404 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.611 ' N ' HG22 ' A' ' 17' ' ' THR . 0.0 OUTLIER -50.16 -35.85 27.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.859 HD13 ' CE1' ' A' ' 84' ' ' HIS . 0.7 OUTLIER -58.58 -33.78 70.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.001 HD21 HD22 ' A' ' 90' ' ' LEU . 0.6 OUTLIER -65.31 -45.05 85.89 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.955 ' HB ' HG21 ' A' ' 175' ' ' VAL . 0.5 OUTLIER -63.47 -65.04 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 1.016 ' CD1' HD12 ' A' ' 35' ' ' LEU . 0.7 OUTLIER -61.23 -32.56 72.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 111.033 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -76.13 -36.97 38.83 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 1.201 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 1.3 t80 -53.07 -56.43 16.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 0.752 . . . . 0.0 111.022 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 1.106 HD22 ' CE1' ' A' ' 171' ' ' PHE . 0.3 OUTLIER -57.84 -45.69 85.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.732 ' HB2' HD13 ' A' ' 35' ' ' LEU . 2.7 tt0 -52.9 -32.66 46.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.583 ' HB2' ' CA ' ' A' ' 88' ' ' ARG . 44.4 t -67.47 -97.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.984 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -143.37 38.12 1.39 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 110.018 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.557 ' HA3' ' CE1' ' A' ' 24' ' ' PHE . . . -82.0 -111.65 0.41 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.558 ' SG ' ' HB1' ' A' ' 160' ' ' ALA . 0.8 OUTLIER -76.66 -98.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.9 m -147.62 169.2 20.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.383 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.773 ' O ' HD23 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -51.91 -55.33 20.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.321 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -58.2 -26.69 63.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.301 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.751 ' C ' HD23 ' A' ' 25' ' ' LEU . 0.5 OUTLIER -68.61 -56.37 8.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.27 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 1.016 HD12 ' CD1' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -47.66 -38.94 15.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.255 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.534 ' N ' ' HG ' ' A' ' 35' ' ' LEU . 14.9 tt0 -72.38 -52.45 15.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 110.306 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.631 ' CG1' ' N ' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -55.39 -58.07 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.964 HD12 HD21 ' A' ' 25' ' ' LEU . 27.7 mt -67.28 -43.82 80.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.482 ' HA3' ' O ' ' A' ' 35' ' ' LEU . . . -52.1 -51.46 40.9 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.463 1.102 . . . . 0.0 110.976 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.403 ' O ' ' CG ' ' A' ' 40' ' ' ARG . 3.9 ptm180 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.763 . . . . 0.0 110.293 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 32.6 pt . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.655 HG13 HD11 ' A' ' 16' ' ' ILE . 2.1 pt -52.95 -58.55 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.859 ' CE1' HD13 ' A' ' 19' ' ' LEU . 39.1 m-70 -59.48 -34.75 72.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.601 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -58.01 -45.24 87.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.606 HG22 ' O ' ' A' ' 83' ' ' ILE . 1.6 tp -62.87 -35.76 72.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.941 ' HB1' ' HA ' ' A' ' 20' ' ' LEU . . . -55.09 -51.14 67.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.583 ' CA ' ' HB2' ' A' ' 27' ' ' SER . 7.4 mtp180 -65.9 -51.14 61.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.507 ' O ' ' HB ' ' A' ' 93' ' ' ILE . 45.0 t60 -54.68 -18.18 4.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.632 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 1.001 HD22 HD21 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -61.84 -61.5 2.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 1.201 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -53.83 -57.41 11.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.51 ' HG3' ' N ' ' A' ' 93' ' ' ILE . 0.6 OUTLIER -47.87 -31.28 4.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.624 HG22 ' HE2' ' A' ' 153' ' ' MET . 0.2 OUTLIER -72.06 -34.01 49.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 91' ' ' ALA . . . -57.09 -50.66 62.62 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.419 ' N ' ' HE3' ' A' ' 157' ' ' LYS . 25.7 t70 -61.78 -48.68 79.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 0.785 . . . . 0.0 109.339 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.03 -43.16 95.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 0.0 110.348 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.774 ' SD ' HD13 ' A' ' 150' ' ' ILE . 7.8 tpt -54.67 -39.39 68.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.572 1.17 . . . . 0.0 111.024 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 99' ' ' HIS . 13.3 t0 -42.06 -25.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.448 ' N ' ' C ' ' A' ' 97' ' ' MET . 20.4 t-160 -38.88 -64.58 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.601 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -146.79 89.4 1.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.824 HG23 ' O ' ' A' ' 101' ' ' ILE . 5.0 tt -112.76 73.34 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.699 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 4.0 mt-30 159.59 56.84 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.699 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.2 Cg_endo -75.01 12.11 1.29 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.485 1.782 . . . . 0.0 110.95 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.726 ' O ' ' CB ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER 173.87 -18.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.415 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.726 ' CB ' ' O ' ' A' ' 104' ' ' THR . 4.5 pp 139.96 34.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 1.146 HG22 ' CE1' ' A' ' 138' ' ' PHE . 1.4 t -62.58 -81.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.834 ' N ' HG12 ' A' ' 106' ' ' VAL . 0.5 OUTLIER -54.75 -12.88 0.86 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.253 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.44 ' HB2' ' HA ' ' A' ' 105' ' ' LEU . 3.6 tm0? -63.12 -51.85 64.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 1.041 ' CD1' ' H ' ' A' ' 110' ' ' ALA . 0.4 OUTLIER -61.79 -60.5 3.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 1.041 ' H ' ' CD1' ' A' ' 109' ' ' LEU . . . -53.33 -35.96 60.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.668 ' CB ' ' O ' ' A' ' 107' ' ' ARG . . . -68.09 -25.29 65.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.724 ' HG2' ' H ' ' A' ' 113' ' ' PHE . 3.8 pt20 -57.37 -50.78 71.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.275 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 1.102 ' CD2' ' HB2' ' A' ' 130' ' ' ALA . 1.3 p90 -68.72 -41.92 78.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.817 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 111.013 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.678 ' HB3' ' CE1' ' A' ' 172' ' ' HIS . 1.4 ptp85 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.501 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 5.6 t30 -68.24 -42.11 80.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.752 ' SG ' HD23 ' A' ' 127' ' ' LEU . 1.7 p -51.84 -57.59 8.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 108.289 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.947 HD13 ' HA ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -53.54 -67.54 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.593 ' HB2' ' HG3' ' A' ' 180' ' ' GLN . . . -44.91 -29.76 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 125' ' ' ASN . 0.1 OUTLIER -62.46 -28.94 70.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 1.102 ' HB2' ' CD2' ' A' ' 113' ' ' PHE . . . -73.04 -39.16 66.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.677 ' N ' ' CZ ' ' A' ' 177' ' ' PHE . 0.0 OUTLIER -46.43 -48.69 18.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.595 ' N ' HD23 ' A' ' 131' ' ' LEU . 1.3 m-20 -73.75 -49.21 26.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.723 ' O ' HG22 ' A' ' 136' ' ' THR . 7.0 mm-40 -69.17 -58.15 4.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.133 . . . . 0.0 110.329 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 1.008 HG22 ' CE2' ' A' ' 138' ' ' PHE . 0.3 OUTLIER -45.21 -39.51 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.752 ' O ' ' CD ' ' A' ' 139' ' ' PRO . 32.9 mtmt -73.52 -29.35 62.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.723 HG22 ' O ' ' A' ' 133' ' ' GLU . 1.2 t -49.97 -21.47 1.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 110.403 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.904 ' HB3' ' CE1' ' A' ' 138' ' ' PHE . . . -107.98 -50.53 3.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 1.146 ' CE1' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -118.49 61.09 4.45 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 110.971 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.752 ' CD ' ' O ' ' A' ' 135' ' ' LYS . 18.2 Cg_endo -75.01 -80.26 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.458 1.768 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . 0.862 ' CB ' ' HB2' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 33.33 -152.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.167 . . . . 0.0 110.316 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . 0.786 ' O ' ' N ' ' A' ' 145' ' ' ASP . 2.5 m-20 -109.01 -140.01 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . 0.673 ' HG3' ' CD2' ' A' ' 185' ' ' TYR . 6.8 ttt -40.61 -36.41 0.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -63.21 -66.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . 0.956 ' HB3' ' C ' ' A' ' 138' ' ' PHE . 0.9 OUTLIER -82.91 -47.43 11.81 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . 0.786 ' N ' ' O ' ' A' ' 141' ' ' ASP . 11.8 t70 -40.6 -57.79 1.77 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.509 ' CG ' ' O ' ' A' ' 142' ' ' MET . 12.3 mmmt -52.44 -24.62 8.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.834 ' HB3' ' O ' ' A' ' 144' ' ' ASN . . . -59.65 -55.66 31.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' MET . . . . . 0.752 ' HG3' ' N ' ' A' ' 149' ' ' LEU . 0.4 OUTLIER -53.25 -50.07 65.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.752 ' N ' ' HG3' ' A' ' 148' ' ' MET . 0.2 OUTLIER -54.21 -50.44 67.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 0.774 HD13 ' SD ' ' A' ' 97' ' ' MET . 0.1 OUTLIER -52.22 -26.24 8.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' MET . . . . . 0.935 ' O ' ' CD2' ' A' ' 155' ' ' LEU . 6.4 tpp -62.61 -53.79 49.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' THR . . . . . 1.105 ' OG1' ' O ' ' A' ' 173' ' ' THR . 1.4 t -42.17 -44.95 3.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.387 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' MET . . . . . 0.66 ' SD ' HD23 ' A' ' 90' ' ' LEU . 3.4 mpp? -72.85 -24.83 60.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 1.004 ' C ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -59.71 -50.13 75.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.35 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 1.117 ' CB ' HG21 ' A' ' 173' ' ' THR . 0.0 OUTLIER -50.91 -59.95 3.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 0.995 ' HA ' HG22 ' A' ' 170' ' ' VAL . . . -57.21 -50.54 72.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.506 ' CE ' ' HA ' ' A' ' 157' ' ' LYS . 2.8 tppt? -45.72 -54.63 7.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . 0.986 ' O ' ' N ' ' A' ' 162' ' ' HIS . 0.0 OUTLIER -78.03 -59.06 2.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' VAL . . . . . 1.041 HG13 ' CB ' ' A' ' 163' ' ' ALA . 89.0 t -42.4 -55.33 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.558 ' HB1' ' SG ' ' A' ' 30' ' ' CYS . . . -32.51 -48.13 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.28 -10.44 11.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.025 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . 0.986 ' N ' ' O ' ' A' ' 158' ' ' LYS . 1.2 t60 -87.36 -51.57 5.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.62 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 1.041 ' CB ' HG13 ' A' ' 159' ' ' VAL . . . -97.71 146.27 31.15 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -30.36 7.24 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.478 1.778 . . . . 0.0 110.955 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.73 76.43 2.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.035 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.5 ' HB2' HG21 ' A' ' 170' ' ' VAL . 0.4 OUTLIER -95.34 30.25 2.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . 0.907 ' C ' HD22 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -72.51 -140.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . 0.708 ' H ' HD13 ' A' ' 167' ' ' LEU . 0.0 OUTLIER -52.94 -19.95 3.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . 0.433 ' N ' ' HG3' ' A' ' 168' ' ' ARG . 1.3 m-20 -63.88 -54.94 26.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 170' ' ' VAL . . . . . 0.995 HG22 ' HA ' ' A' ' 156' ' ' ALA . 1.2 t -54.37 -58.73 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . 1.106 ' CE1' HD22 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -57.14 -50.15 73.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 110.981 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 172' ' ' HIS . . . . . 0.678 ' CE1' ' HB3' ' A' ' 124' ' ' ARG . 15.3 t-160 -51.62 -42.58 62.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.559 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 173' ' ' THR . . . . . 1.117 HG21 ' CB ' ' A' ' 155' ' ' LEU . 57.4 m -52.39 -47.39 66.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 110.414 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 174' ' ' THR . . . . . 0.975 ' HA ' HG23 ' A' ' 152' ' ' THR . 11.5 p -61.17 -64.63 0.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.435 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 175' ' ' VAL . . . . . 1.068 ' HA ' HD12 ' A' ' 178' ' ' ILE . 2.6 t -70.42 9.28 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 176' ' ' ASN . . . . . 0.935 ' HB2' HD12 ' A' ' 127' ' ' LEU . 0.0 OUTLIER -76.6 -58.87 3.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 177' ' ' PHE . . . . . 0.677 ' CZ ' ' N ' ' A' ' 131' ' ' LEU . 2.6 m-30 -62.62 -53.46 54.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 178' ' ' ILE . . . . . 1.068 HD12 ' HA ' ' A' ' 175' ' ' VAL . 0.0 OUTLIER -53.84 -42.24 51.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 179' ' ' ASN . . . . . 1.025 ' N ' HD13 ' A' ' 178' ' ' ILE . 16.6 t-20 -70.73 -42.4 70.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.255 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 180' ' ' GLN . . . . . 0.593 ' HG3' ' HB2' ' A' ' 128' ' ' ALA . 15.1 mm-40 -71.17 -23.98 62.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.336 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.656 ' C ' HD13 ' A' ' 182' ' ' LEU . 41.0 t30 -109.14 -151.89 0.48 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 182' ' ' LEU . . . . . 0.806 HD13 ' N ' ' A' ' 182' ' ' LEU . 0.0 OUTLIER -95.0 80.58 3.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 183' ' ' PHE . . . . . 0.694 ' CG ' ' N ' ' A' ' 184' ' ' SER . 0.2 OUTLIER 23.43 -84.31 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 110.987 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 184' ' ' SER . . . . . 0.694 ' N ' ' CG ' ' A' ' 183' ' ' PHE . 39.9 t -100.96 147.83 25.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.028 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 185' ' ' TYR . . . . . 0.673 ' CD2' ' HG3' ' A' ' 142' ' ' MET . 8.0 t80 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 111.0 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.779 HD12 ' CB ' ' A' ' 19' ' ' LEU . 4.4 pt . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.911 HG22 HG13 ' A' ' 175' ' ' VAL . 4.8 m -49.65 -52.16 32.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.376 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.58 -40.23 18.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.779 ' CB ' HD12 ' A' ' 16' ' ' ILE . 3.6 mm? -63.8 -28.37 69.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.096 ' CD2' HD22 ' A' ' 90' ' ' LEU . 2.5 tm? -65.02 -43.81 91.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.905 ' HB ' HG21 ' A' ' 175' ' ' VAL . 0.5 OUTLIER -60.24 -63.33 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.792 ' CD2' ' HA3' ' A' ' 39' ' ' GLY . 4.3 t80 -62.95 -32.58 73.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.543 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -74.6 -35.83 50.39 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 1.202 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 5.4 t80 -54.14 -58.67 6.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 0.772 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 1.02 HD22 ' CE1' ' A' ' 171' ' ' PHE . 0.3 OUTLIER -55.9 -44.4 78.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.739 ' HB3' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -53.09 -32.71 48.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.594 ' N ' ' HG3' ' A' ' 26' ' ' GLN . 41.0 t -68.52 -96.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.958 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -142.16 20.25 2.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.987 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.616 ' HA3' ' CE1' ' A' ' 24' ' ' PHE . . . -57.9 -104.08 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.512 1.133 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.583 ' H ' HD12 ' A' ' 25' ' ' LEU . 40.4 t -91.56 -95.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 34' ' ' GLU . 0.5 OUTLIER -145.31 153.35 41.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.461 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.52 -57.03 3.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.329 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.972 ' O ' HG23 ' A' ' 37' ' ' VAL . 7.7 tt0 -54.96 -26.24 35.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.427 1.079 . . . . 0.0 110.28 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.69 ' C ' HD23 ' A' ' 25' ' ' LEU . 1.5 tp10 -66.79 -55.77 13.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 1.097 HD23 ' N ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -47.34 -34.75 7.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 1.097 ' N ' HD23 ' A' ' 35' ' ' LEU . 20.8 tt0 -70.26 -44.9 67.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.102 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.972 HG23 ' O ' ' A' ' 33' ' ' GLN . 3.7 t -63.87 -59.86 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 1.176 ' HB2' ' CD2' ' A' ' 171' ' ' PHE . 0.4 OUTLIER -65.75 -41.47 92.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.248 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.792 ' HA3' ' CD2' ' A' ' 22' ' ' PHE . . . -49.58 -43.99 37.23 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.485 1.116 . . . . 0.0 111.021 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.0 ptt85 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.498 0.764 . . . . 0.0 110.276 -179.976 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.488 ' O ' ' HB2' ' A' ' 85' ' ' ASN . 7.3 mm . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.511 ' O ' HG22 ' A' ' 86' ' ' ILE . 1.5 mp -53.38 -40.76 41.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.342 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.41 ' NE2' ' HG ' ' A' ' 19' ' ' LEU . 47.5 m80 -64.31 -41.87 96.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.633 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.488 ' HB2' ' O ' ' A' ' 82' ' ' ILE . 25.3 m120 -52.35 -45.45 65.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.511 HG22 ' O ' ' A' ' 83' ' ' ILE . 0.6 OUTLIER -61.82 -50.39 80.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.967 ' HB1' ' HA ' ' A' ' 20' ' ' LEU . . . -53.36 -37.64 62.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.542 ' O ' ' CB ' ' A' ' 27' ' ' SER . 3.6 ttm180 -64.67 -51.76 60.85 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.833 ' NE2' HD13 ' A' ' 93' ' ' ILE . 86.4 t60 -53.24 -19.55 3.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.582 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 1.096 HD22 ' CD2' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -58.69 -71.67 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.339 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 1.202 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -51.44 -48.08 62.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.253 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -50.03 -41.49 47.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.297 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.95 HG22 ' O ' ' A' ' 90' ' ' LEU . 2.2 tp -67.84 -25.81 33.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.55 ' CA ' ' HD2' ' A' ' 157' ' ' LYS . . . -62.39 -52.67 47.62 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.491 1.119 . . . . 0.0 110.944 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -58.49 -52.18 66.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 0.729 . . . . 0.0 109.315 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -43.1 96.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.269 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.537 ' CB ' ' O ' ' A' ' 93' ' ' ILE . 36.4 tpp -54.5 -38.97 67.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.976 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.467 ' O ' ' C ' ' A' ' 99' ' ' HIS . 26.2 t70 -40.81 -27.09 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.47 ' N ' ' C ' ' A' ' 97' ' ' MET . 1.4 m-70 -35.24 -66.04 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.633 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 47.0 m-20 -146.2 89.63 1.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.779 HG23 ' O ' ' A' ' 101' ' ' ILE . 12.4 tt -105.99 78.17 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.774 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 0.1 OUTLIER 159.99 54.71 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 0.0 110.275 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.774 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.3 Cg_endo -74.98 -20.81 16.54 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.508 1.794 . . . . 0.0 110.976 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.958 ' O ' HD23 ' A' ' 105' ' ' LEU . 33.6 p -146.28 7.88 1.04 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 110.449 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.958 HD23 ' O ' ' A' ' 104' ' ' THR . 0.2 OUTLIER 102.58 31.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 1.175 ' O ' ' CD1' ' A' ' 109' ' ' LEU . 1.2 t -60.77 -63.7 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.08 . . . . 0.0 109.254 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 1.053 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 0.1 OUTLIER -67.18 -13.65 62.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.573 ' O ' ' HB3' ' A' ' 111' ' ' ALA . 0.0 OUTLIER -62.15 -61.08 2.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 1.175 ' CD1' ' O ' ' A' ' 106' ' ' VAL . 0.1 OUTLIER -61.04 -61.68 2.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.988 ' HB2' ' CG2' ' A' ' 134' ' ' VAL . . . -52.79 -17.81 1.55 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 1.053 ' HB2' ' O ' ' A' ' 107' ' ' ARG . . . -82.11 -56.17 4.1 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 1.078 ' HG3' ' O ' ' A' ' 109' ' ' LEU . 0.5 OUTLIER -40.27 -54.56 2.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 1.248 ' CD2' ' HB2' ' A' ' 130' ' ' ALA . 0.2 OUTLIER -62.09 -40.75 96.89 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.676 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 5.5 tpt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 111.018 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.62 ' HA ' HD21 ' A' ' 127' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.524 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 4.8 p30 -72.65 -42.3 64.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.698 ' SG ' ' N ' ' A' ' 127' ' ' LEU . 1.7 p -49.38 -53.83 20.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 108.34 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.843 HD13 ' HB2' ' A' ' 176' ' ' ASN . 0.0 OUTLIER -52.84 -69.97 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.454 ' O ' ' HB3' ' A' ' 131' ' ' LEU . . . -47.63 -27.93 2.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.524 ' HB2' ' O ' ' A' ' 125' ' ' ASN . 0.0 OUTLIER -55.65 -35.3 65.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 1.248 ' HB2' ' CD2' ' A' ' 113' ' ' PHE . . . -72.49 -40.69 66.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.635 ' O ' ' CB ' ' A' ' 135' ' ' LYS . 0.0 OUTLIER -43.76 -41.63 5.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.488 ' O ' ' HB ' ' A' ' 136' ' ' THR . 0.4 OUTLIER -72.96 -52.3 15.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.679 ' O ' HG22 ' A' ' 136' ' ' THR . 1.4 mt-10 -73.66 -59.19 2.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.271 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.988 ' CG2' ' HB2' ' A' ' 110' ' ' ALA . 1.1 t -45.93 -39.27 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.739 ' HG3' ' HA ' ' A' ' 139' ' ' PRO . 0.0 OUTLIER -74.87 -38.13 62.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.679 HG22 ' O ' ' A' ' 133' ' ' GLU . 0.7 OUTLIER -51.56 -19.6 1.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 110.423 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.835 ' HB3' ' CE1' ' A' ' 138' ' ' PHE . . . -103.41 -51.93 3.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 0.896 ' CZ ' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -119.1 65.51 7.5 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.739 ' HA ' ' HG3' ' A' ' 135' ' ' LYS . 18.3 Cg_endo -75.01 -91.41 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.542 1.811 . . . . 0.0 110.978 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . 0.726 ' CB ' ' HB2' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 40.49 -168.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 110.284 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . 0.645 ' O ' ' N ' ' A' ' 145' ' ' ASP . 4.7 m-20 -94.5 -143.65 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . 0.608 ' HA ' ' CE2' ' A' ' 185' ' ' TYR . 0.0 OUTLIER -44.59 -34.28 2.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 111.043 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -55.82 -69.09 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . 0.749 ' O ' ' N ' ' A' ' 147' ' ' ALA . 1.0 OUTLIER -80.15 -41.74 24.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . 0.645 ' N ' ' O ' ' A' ' 141' ' ' ASP . 83.4 m-20 -36.53 -52.0 0.85 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.534 ' HB2' ' CZ ' ' A' ' 185' ' ' TYR . 11.8 ttpt -53.41 -30.65 41.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.248 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.749 ' N ' ' O ' ' A' ' 144' ' ' ASN . . . -55.64 -56.8 16.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' MET . . . . . 0.769 ' HG3' ' N ' ' A' ' 149' ' ' LEU . 0.0 OUTLIER -52.84 -42.18 64.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.769 ' N ' ' HG3' ' A' ' 148' ' ' MET . 89.8 mt -55.84 -48.5 75.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 0.639 HG23 ' CE ' ' A' ' 153' ' ' MET . 2.5 mt -51.07 -28.26 6.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.254 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' MET . . . . . 0.944 ' SD ' HG13 ' A' ' 106' ' ' VAL . 36.1 mmm -66.68 -50.69 62.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' THR . . . . . 1.129 ' OG1' ' O ' ' A' ' 173' ' ' THR . 1.0 OUTLIER -42.17 -50.43 4.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 110.445 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' MET . . . . . 0.639 ' CE ' HG23 ' A' ' 150' ' ' ILE . 5.4 ptt? -70.58 -26.45 63.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 111.001 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.991 ' C ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -54.33 -49.98 68.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 1.143 ' O ' HG23 ' A' ' 159' ' ' VAL . 0.0 OUTLIER -52.39 -56.65 13.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.334 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 1.049 ' HA ' HG22 ' A' ' 170' ' ' VAL . . . -56.21 -52.03 65.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.665 ' HA ' ' CB ' ' A' ' 161' ' ' SER . 1.3 mtpm? -47.3 -52.66 15.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . 0.601 ' O ' ' CB ' ' A' ' 162' ' ' HIS . 17.3 ptmt -73.71 -42.07 61.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' VAL . . . . . 1.143 HG23 ' O ' ' A' ' 155' ' ' LEU . 24.8 t -70.01 -134.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.355 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.924 ' H ' HG12 ' A' ' 159' ' ' VAL . . . -25.9 -62.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.251 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . 0.665 ' CB ' ' HA ' ' A' ' 157' ' ' LYS . 0.4 OUTLIER -48.86 -13.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.01 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . 0.969 ' N ' ' O ' ' A' ' 159' ' ' VAL . 0.6 OUTLIER -148.31 -44.22 0.16 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.428 1.08 . . . . 0.0 109.614 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 1.085 ' N ' ' O ' ' A' ' 159' ' ' VAL . . . -108.61 94.68 14.51 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' PRO . . . . . 0.515 ' HD3' ' O ' ' A' ' 162' ' ' HIS . 18.3 Cg_endo -75.03 74.28 4.07 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.508 1.794 . . . . 0.0 110.975 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.99 -73.73 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.982 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.08 79.9 1.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . 0.976 ' HB2' HD21 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -52.38 -25.81 10.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.348 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . 0.726 ' H ' HD12 ' A' ' 167' ' ' LEU . 18.8 ptt180 -60.75 -49.84 75.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . 0.625 ' N ' ' CG ' ' A' ' 168' ' ' ARG . 65.7 t0 -65.64 -31.92 73.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 170' ' ' VAL . . . . . 1.049 HG22 ' HA ' ' A' ' 156' ' ' ALA . 0.9 OUTLIER -51.24 -65.63 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.255 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . 1.176 ' CD2' ' HB2' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -53.74 -51.69 62.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 110.971 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 172' ' ' HIS . . . . . 0.611 ' O ' ' HB3' ' A' ' 176' ' ' ASN . 0.5 OUTLIER -52.06 -42.2 62.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.56 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 173' ' ' THR . . . . . 1.129 ' O ' ' OG1' ' A' ' 152' ' ' THR . 85.7 m -55.9 -39.8 72.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.413 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 174' ' ' THR . . . . . 1.03 ' HA ' HG23 ' A' ' 152' ' ' THR . 11.7 p -65.63 -72.85 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.39 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 175' ' ' VAL . . . . . 0.911 HG13 HG22 ' A' ' 17' ' ' THR . 40.0 t -66.51 10.69 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 176' ' ' ASN . . . . . 0.843 ' HB2' HD13 ' A' ' 127' ' ' LEU . 0.0 OUTLIER -77.54 -61.23 2.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 177' ' ' PHE . . . . . 0.909 ' HZ ' ' HB3' ' A' ' 130' ' ' ALA . 2.5 m-30 -62.16 -53.79 50.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 178' ' ' ILE . . . . . 0.617 ' CG2' HG23 ' A' ' 17' ' ' THR . 2.3 mt -51.64 -46.69 38.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 179' ' ' ASN . . . . . 0.575 ' N ' HG21 ' A' ' 17' ' ' THR . 6.8 t-20 -62.22 -41.29 98.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.238 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -94.75 11.47 31.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.704 ' CG ' HD22 ' A' ' 182' ' ' LEU . 41.9 t30 -95.55 -137.43 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 182' ' ' LEU . . . . . 0.704 HD22 ' CG ' ' A' ' 181' ' ' ASN . 0.1 OUTLIER -91.14 18.48 6.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 183' ' ' PHE . . . . . 0.793 ' O ' ' CG ' ' A' ' 183' ' ' PHE . 13.5 t80 23.52 48.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.96 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 184' ' ' SER . . . . . 0.557 ' CB ' ' O ' ' A' ' 183' ' ' PHE . 0.5 OUTLIER 155.39 43.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.991 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 185' ' ' TYR . . . . . 0.608 ' CE2' ' HA ' ' A' ' 142' ' ' MET . 10.0 t80 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 1.171 HG21 ' CE1' ' A' ' 183' ' ' PHE . 5.4 tp . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 1.026 ' CG2' HG13 ' A' ' 175' ' ' VAL . 0.2 OUTLIER -52.44 -40.37 62.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.404 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.873 ' O ' HG23 ' A' ' 21' ' ' VAL . 1.0 OUTLIER -47.62 -39.01 15.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.536 ' HG ' ' CE1' ' A' ' 84' ' ' HIS . 1.8 mm? -70.18 -27.61 64.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.07 ' CD1' HD22 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -60.66 -54.54 44.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.35 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 1.127 HG22 HG21 ' A' ' 175' ' ' VAL . 0.0 OUTLIER -53.53 -60.91 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 109.296 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.892 ' O ' HD12 ' A' ' 35' ' ' LEU . 2.8 t80 -56.97 -35.89 69.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -71.79 -36.21 61.69 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 1.173 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 0.9 OUTLIER -53.86 -57.67 10.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 111.01 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.899 HD23 ' N ' ' A' ' 35' ' ' LEU . 0.3 OUTLIER -57.57 -43.08 84.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -30.67 67.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.334 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.577 ' CB ' ' O ' ' A' ' 88' ' ' ARG . 43.6 t -71.69 -65.24 0.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.029 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.501 ' O ' ' C ' ' A' ' 29' ' ' GLY . 5.5 m -142.68 -89.4 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.029 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.501 ' C ' ' O ' ' A' ' 28' ' ' SER . . . 29.4 -128.52 0.1 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.468 1.105 . . . . 0.0 110.984 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.657 ' HB3' ' CB ' ' A' ' 34' ' ' GLU . 49.0 t -75.05 -109.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.649 HG23 ' HG3' ' A' ' 33' ' ' GLN . 4.3 t -145.26 172.59 12.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.432 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.63 ' O ' HD23 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -48.12 -51.11 26.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.924 ' O ' HG23 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -54.46 -28.19 42.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 110.322 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.843 ' CG ' HD21 ' A' ' 25' ' ' LEU . 3.6 tp10 -68.63 -58.95 3.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.899 ' N ' HD23 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -44.69 -35.31 2.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.265 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.507 ' N ' HD23 ' A' ' 35' ' ' LEU . 1.9 tt0 -69.67 -39.67 76.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.258 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.924 HG23 ' O ' ' A' ' 33' ' ' GLN . 20.1 t -64.48 -60.99 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 1.157 ' HB2' ' CD2' ' A' ' 171' ' ' PHE . 0.3 OUTLIER -64.07 -44.57 92.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.621 ' HA3' ' CD1' ' A' ' 22' ' ' PHE . . . -46.21 -52.4 10.41 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.416 ' O ' ' O ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.477 0.751 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.1 pp . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.604 ' O ' HG22 ' A' ' 86' ' ' ILE . 59.4 mt -53.49 -50.78 47.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.617 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 70.8 m-70 -62.31 -34.14 76.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.602 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.439 ' HA ' ' CZ ' ' A' ' 88' ' ' ARG . 3.8 t-20 -56.47 -49.93 73.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.604 HG22 ' O ' ' A' ' 83' ' ' ILE . 1.0 OUTLIER -62.77 -32.52 56.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.924 ' HB1' ' HA ' ' A' ' 20' ' ' LEU . . . -52.81 -48.2 67.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.577 ' O ' ' CB ' ' A' ' 27' ' ' SER . 0.2 OUTLIER -67.63 -40.86 84.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.09 . . . . 0.0 110.295 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.546 ' O ' ' HB ' ' A' ' 93' ' ' ILE . 15.2 t-160 -57.16 -18.8 16.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.617 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 1.07 HD22 ' CD1' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -56.35 -70.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 1.173 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -53.04 -52.18 59.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -53.18 -27.14 19.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.546 ' HB ' ' O ' ' A' ' 89' ' ' HIS . 0.1 OUTLIER -68.06 -36.83 76.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.613 ' CA ' ' HG3' ' A' ' 153' ' ' MET . . . -59.18 -53.5 45.79 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.455 1.097 . . . . 0.0 110.98 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -54.73 -48.08 73.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 0.796 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -37.3 87.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 110.304 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.602 ' CG ' ' N ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER -49.88 -49.97 47.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.602 ' N ' ' CG ' ' A' ' 97' ' ' MET . 22.9 t0 -38.35 -31.26 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 97' ' ' MET . 11.8 t-160 -52.82 -62.83 1.39 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.602 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -148.41 88.49 1.64 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 1.034 HD12 HG21 ' A' ' 106' ' ' VAL . 0.2 OUTLIER -129.52 98.06 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.362 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.885 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 2.2 pt20 160.05 51.01 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.885 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.2 Cg_endo -75.0 -12.42 21.51 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.509 1.794 . . . . 0.0 110.968 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.72 ' O ' HD12 ' A' ' 105' ' ' LEU . 0.5 OUTLIER -161.07 3.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.72 HD12 ' O ' ' A' ' 104' ' ' THR . 2.0 mt 103.52 41.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 1.034 HG21 HD12 ' A' ' 101' ' ' ILE . 1.4 m -50.32 -86.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.893 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 0.0 OUTLIER -48.35 -22.33 0.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.283 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.566 ' O ' ' HB3' ' A' ' 111' ' ' ALA . 3.0 mm-40 -65.78 -52.54 49.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 1.152 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 0.5 OUTLIER -68.03 -63.01 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.236 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 1.149 ' N ' HD12 ' A' ' 109' ' ' LEU . . . -48.26 -23.13 0.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.893 ' HB2' ' O ' ' A' ' 107' ' ' ARG . . . -68.26 -52.6 32.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.577 1.173 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 1.152 ' HG3' ' O ' ' A' ' 109' ' ' LEU . 0.6 OUTLIER -49.46 -39.15 32.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 1.086 ' CE2' HD11 ' A' ' 155' ' ' LEU . 0.0 OUTLIER -61.17 -50.26 73.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 111.036 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.783 ' HG3' HD12 ' A' ' 155' ' ' LEU . 1.1 ttm . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.558 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.472 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 4.6 m120 -69.36 -40.27 77.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.647 ' SG ' HD23 ' A' ' 127' ' ' LEU . 14.2 p -51.49 -53.54 36.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 108.272 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.85 ' HA ' ' CE1' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -57.45 -68.62 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -44.41 -28.24 0.53 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.145 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.484 ' HB2' ' O ' ' A' ' 126' ' ' CYS . 7.2 mttt -63.46 -33.74 76.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.977 ' O ' HG12 ' A' ' 134' ' ' VAL . . . -71.35 -41.05 70.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.793 ' N ' ' CZ ' ' A' ' 177' ' ' PHE . 0.2 OUTLIER -48.17 -43.67 31.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.677 ' O ' ' HB ' ' A' ' 136' ' ' THR . 5.6 m-20 -63.84 -50.72 67.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.742 ' CB ' HD13 ' A' ' 109' ' ' LEU . 6.9 mm-40 -53.81 -63.86 1.01 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 110.294 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.977 HG12 ' O ' ' A' ' 130' ' ' ALA . 0.2 OUTLIER -53.91 -36.75 31.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.47 ' HB2' ' SD ' ' A' ' 148' ' ' MET . 0.1 OUTLIER -78.86 4.14 14.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.677 ' HB ' ' O ' ' A' ' 132' ' ' ASP . 0.6 OUTLIER -121.08 -18.36 7.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.366 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.754 ' HB3' ' CE1' ' A' ' 138' ' ' PHE . . . -99.57 -51.21 3.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 1.109 ' CZ ' HD23 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -118.78 57.39 3.24 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.703 ' HD3' ' C ' ' A' ' 137' ' ' ALA . 18.3 Cg_endo -74.97 147.27 33.82 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.413 1.744 . . . . 0.0 110.968 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . 0.841 ' N ' ' CB ' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 167.67 -154.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . 0.609 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 11.5 m-20 -96.82 -111.25 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . 0.589 ' HA ' ' CE2' ' A' ' 185' ' ' TYR . 5.0 ptt? -60.68 -38.45 85.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . 0.579 ' HG2' ' HB3' ' A' ' 140' ' ' ARG . 0.0 OUTLIER -63.2 -57.92 8.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.278 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . 0.841 ' CB ' ' N ' ' A' ' 140' ' ' ARG . 2.4 t30 -69.73 -59.43 2.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . 0.627 ' OD2' ' CE1' ' A' ' 185' ' ' TYR . 77.3 m-20 -40.44 -53.03 2.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 142' ' ' MET . 11.4 ttpt -62.42 -33.83 75.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.562 ' HB3' ' O ' ' A' ' 144' ' ' ASN . . . -61.43 -55.1 35.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' MET . . . . . 0.685 ' HA ' HG21 ' A' ' 134' ' ' VAL . 1.1 mtp -48.25 -57.86 5.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 111.031 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.953 HD23 HD11 ' A' ' 90' ' ' LEU . 9.4 mp -53.45 -43.61 68.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 109.349 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 0.734 HG21 HD11 ' A' ' 101' ' ' ILE . 0.4 OUTLIER -52.62 -31.9 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.269 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' MET . . . . . 0.9 ' HG3' HG11 ' A' ' 134' ' ' VAL . 40.5 mmm -60.82 -54.81 40.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 111.03 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' THR . . . . . 0.891 HG21 ' HB2' ' A' ' 177' ' ' PHE . 43.1 p -48.23 -40.58 24.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.419 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' MET . . . . . 0.772 ' SD ' ' O ' ' A' ' 153' ' ' MET . 0.0 OUTLIER -67.83 -27.8 67.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.968 ' C ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -58.82 -50.94 72.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 109.281 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 1.086 HD11 ' CE2' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -55.05 -55.56 29.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 0.986 ' HA ' HG22 ' A' ' 170' ' ' VAL . . . -60.49 -51.31 70.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 156' ' ' ALA . 4.8 tmtt? -37.61 -42.93 0.58 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . 0.958 ' O ' ' N ' ' A' ' 163' ' ' ALA . 21.9 mmmt -81.3 -63.89 1.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' VAL . . . . . 1.108 HG13 ' CG2' ' A' ' 170' ' ' VAL . 2.4 p -84.58 155.07 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.247 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 1.091 ' CB ' HG11 ' A' ' 170' ' ' VAL . . . 65.46 34.76 7.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 165.36 -13.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.024 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . 0.629 ' CB ' ' O ' ' A' ' 158' ' ' LYS . 0.2 OUTLIER -152.69 -39.58 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.569 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 0.958 ' N ' ' O ' ' A' ' 158' ' ' LYS . . . -110.12 98.18 33.73 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' A' ' 162' ' ' HIS . 18.4 Cg_endo -74.99 99.55 1.27 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.512 1.796 . . . . 0.0 110.992 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . 0.464 ' O ' HD22 ' A' ' 166' ' ' LEU . 1.2 m -141.77 -76.32 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.039 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.779 HD12 ' HB2' ' A' ' 168' ' ' ARG . 0.2 OUTLIER -143.57 91.86 2.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . 0.873 ' HB2' HD21 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -55.03 -23.18 18.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . 0.779 ' HB2' HD12 ' A' ' 166' ' ' LEU . 0.0 OUTLIER -58.84 -67.86 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . 0.473 ' O ' ' OG1' ' A' ' 173' ' ' THR . 21.7 t70 -54.33 -34.61 61.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 170' ' ' VAL . . . . . 1.108 ' CG2' HG13 ' A' ' 159' ' ' VAL . 0.4 OUTLIER -49.47 -53.55 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . 1.157 ' CD2' ' HB2' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -60.07 -48.64 80.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.148 . . . . 0.0 111.005 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 172' ' ' HIS . . . . . 0.672 ' O ' ' CB ' ' A' ' 176' ' ' ASN . 0.5 OUTLIER -53.17 -37.32 61.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.568 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 173' ' ' THR . . . . . 1.067 HG21 ' CB ' ' A' ' 155' ' ' LEU . 2.9 m -53.6 -51.11 64.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 110.421 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 174' ' ' THR . . . . . 0.7 ' HA ' ' HB ' ' A' ' 152' ' ' THR . 28.3 p -57.25 -68.62 0.21 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 0.0 110.395 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 175' ' ' VAL . . . . . 1.127 HG21 HG22 ' A' ' 21' ' ' VAL . 55.7 t -74.92 15.03 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 176' ' ' ASN . . . . . 0.719 ' ND2' ' CD1' ' A' ' 177' ' ' PHE . 0.1 OUTLIER -77.13 -56.68 4.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 177' ' ' PHE . . . . . 0.891 ' HB2' HG21 ' A' ' 152' ' ' THR . 5.2 m-30 -63.33 -53.84 46.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.433 1.083 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 178' ' ' ILE . . . . . 0.99 HD11 HD21 ' A' ' 90' ' ' LEU . 3.2 mt -51.06 -50.31 25.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 179' ' ' ASN . . . . . 0.418 ' N ' HG21 ' A' ' 17' ' ' THR . 12.0 t-20 -58.41 -39.65 80.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 180' ' ' GLN . . . . . 0.436 ' HG3' ' NH1' ' A' ' 124' ' ' ARG . 0.0 OUTLIER -93.76 0.25 56.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.295 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.897 ' ND2' HD22 ' A' ' 182' ' ' LEU . 44.5 t30 -98.07 -148.49 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 182' ' ' LEU . . . . . 0.897 HD22 ' ND2' ' A' ' 181' ' ' ASN . 0.0 OUTLIER -96.24 49.19 1.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.336 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 183' ' ' PHE . . . . . 1.171 ' CE1' HG21 ' A' ' 16' ' ' ILE . 0.0 OUTLIER 24.58 97.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.087 . . . . 0.0 110.991 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 184' ' ' SER . . . . . 0.437 ' H ' ' CG2' ' A' ' 178' ' ' ILE . 3.5 m 65.23 90.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.043 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 185' ' ' TYR . . . . . 0.627 ' CE1' ' OD2' ' A' ' 145' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.735 HG12 HG21 ' A' ' 83' ' ' ILE . 5.1 tp . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 1.021 HG22 HG13 ' A' ' 175' ' ' VAL . 3.3 m -52.75 -39.47 62.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.392 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -50.52 -44.12 56.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 23' ' ' GLY . 4.2 mm? -64.8 -30.62 71.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.139 ' CD1' HD22 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -59.46 -49.13 78.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.88 ' H ' HG21 ' A' ' 175' ' ' VAL . 0.4 OUTLIER -54.94 -58.28 4.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.793 ' CD2' ' HA3' ' A' ' 39' ' ' GLY . 5.1 t80 -61.62 -29.76 70.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.978 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -75.68 -35.43 46.17 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 1.236 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 7.3 t80 -52.58 -58.71 5.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 0.748 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.931 HD22 ' CE1' ' A' ' 171' ' ' PHE . 0.3 OUTLIER -58.5 -41.05 84.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.256 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.804 ' HB2' HD12 ' A' ' 35' ' ' LEU . 1.6 tt0 -54.45 -34.05 60.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.575 ' CB ' ' O ' ' A' ' 88' ' ' ARG . 3.4 t -70.68 -99.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.975 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.425 ' N ' ' OG ' ' A' ' 27' ' ' SER . 10.2 t -136.41 19.37 3.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 110.049 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.646 ' CA ' ' HB1' ' A' ' 91' ' ' ALA . . . -57.33 -99.54 0.01 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.525 1.141 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.659 ' SG ' ' HB1' ' A' ' 160' ' ' ALA . 0.9 OUTLIER -97.94 -96.3 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.515 ' O ' ' N ' ' A' ' 34' ' ' GLU . 9.2 p -146.54 153.03 39.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.371 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.35 -53.63 4.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 110.335 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.866 ' O ' HG23 ' A' ' 37' ' ' VAL . 35.5 tt0 -58.72 -27.83 65.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.713 ' C ' HD23 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -66.28 -56.76 9.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 110.326 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 1.062 HD23 ' N ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -47.56 -32.31 5.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 1.062 ' N ' HD23 ' A' ' 35' ' ' LEU . 1.1 tp10 -69.95 -46.92 64.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.866 HG23 ' O ' ' A' ' 33' ' ' GLN . 2.2 t -64.38 -57.85 9.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 1.072 ' HB2' ' CD2' ' A' ' 171' ' ' PHE . 5.2 mt -67.4 -40.42 85.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.793 ' HA3' ' CD2' ' A' ' 22' ' ' PHE . . . -47.94 -54.05 12.79 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.556 ' HG3' ' O ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.77 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.3 mt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.759 ' O ' HG22 ' A' ' 86' ' ' ILE . 48.7 mt -52.07 -43.6 37.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.573 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 37.9 m80 -63.0 -33.38 75.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.581 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.43 ' HA ' ' NH2' ' A' ' 88' ' ' ARG . 1.5 t-20 -59.0 -53.18 61.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.759 HG22 ' O ' ' A' ' 83' ' ' ILE . 7.0 tp -62.15 -31.31 51.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.968 ' HB1' ' HA ' ' A' ' 20' ' ' LEU . . . -54.05 -48.56 70.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.575 ' O ' ' CB ' ' A' ' 27' ' ' SER . 2.6 mtm105 -64.6 -49.19 72.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.335 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 1.111 ' O ' HG23 ' A' ' 93' ' ' ILE . 16.4 t-80 -51.69 -19.87 1.8 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.583 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 1.139 HD22 ' CD1' ' A' ' 20' ' ' LEU . 1.4 tp -54.08 -66.73 0.34 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 1.236 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -56.96 -41.9 79.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.2 -43.5 67.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.331 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 1.111 HG23 ' O ' ' A' ' 89' ' ' HIS . 1.4 pt -69.04 -27.36 35.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.433 ' N ' HG13 ' A' ' 93' ' ' ILE . . . -60.32 -56.48 24.25 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.514 1.134 . . . . 0.0 111.022 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -67.02 -49.77 64.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 0.781 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.484 ' HG3' ' N ' ' A' ' 97' ' ' MET . 0.4 OUTLIER -57.26 -40.35 77.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 110.283 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.928 ' HB3' HD12 ' A' ' 101' ' ' ILE . 1.6 mmt -55.11 -50.11 70.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -40.48 -28.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.443 ' N ' ' C ' ' A' ' 97' ' ' MET . 15.1 t60 -55.07 -47.13 75.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.605 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.457 ' N ' ' O ' ' A' ' 97' ' ' MET . 0.7 OUTLIER -145.04 86.6 1.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.928 HD12 ' HB3' ' A' ' 97' ' ' MET . 0.1 OUTLIER -141.87 102.71 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.956 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 4.1 tm0? 162.09 47.64 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.956 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.2 Cg_endo -75.01 -15.36 20.76 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.446 1.761 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.75 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 1.5 m -161.92 8.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.39 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.75 ' HB2' ' O ' ' A' ' 104' ' ' THR . 0.2 OUTLIER 99.85 39.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.113 . . . . 0.0 109.288 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 1.106 HG12 ' CE2' ' A' ' 138' ' ' PHE . 4.6 m -57.25 -75.05 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.94 ' H ' HG23 ' A' ' 106' ' ' VAL . 42.1 ptt85 -44.68 -45.9 9.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.665 ' O ' ' HB3' ' A' ' 112' ' ' GLN . 1.4 tt0 -68.09 -30.05 69.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.835 ' C ' HD13 ' A' ' 109' ' ' LEU . 0.9 OUTLIER -65.58 -73.16 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 1.104 ' O ' ' CD2' ' A' ' 113' ' ' PHE . . . -53.91 -48.41 70.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.733 ' HB3' ' O ' ' A' ' 107' ' ' ARG . . . -63.3 -15.97 58.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.672 ' CG ' ' O ' ' A' ' 109' ' ' LEU . 3.0 pt20 -59.06 -49.98 75.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 1.104 ' CD2' ' O ' ' A' ' 110' ' ' ALA . 11.9 p90 -67.42 -46.83 72.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 111.03 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.806 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 1.6 ptt? . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.691 ' HA ' HD11 ' A' ' 127' ' ' LEU . 3.5 mtp180 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.482 ' O ' ' N ' ' A' ' 129' ' ' LYS . 12.0 p-10 -67.0 -38.61 86.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.546 ' HB3' ' CD1' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -52.96 -56.06 18.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 108.279 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.833 ' HA ' ' CZ ' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -53.84 -63.33 1.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.55 ' HB1' ' CD ' ' A' ' 180' ' ' GLN . . . -50.2 -34.09 21.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 125' ' ' ASN . 0.0 OUTLIER -58.27 -29.51 65.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.983 ' O ' HG12 ' A' ' 134' ' ' VAL . . . -72.75 -41.27 65.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 1.011 HD12 ' CD2' ' A' ' 177' ' ' PHE . 0.1 OUTLIER -42.92 -50.23 5.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.825 ' O ' HG23 ' A' ' 136' ' ' THR . 6.4 m-20 -69.83 -42.49 73.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.796 ' HB3' HD11 ' A' ' 109' ' ' LEU . 3.6 mm-40 -57.31 -60.82 3.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 1.039 HG23 ' CE2' ' A' ' 138' ' ' PHE . 0.1 OUTLIER -57.0 -33.42 42.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' A' ' 135' ' ' LYS . 9.8 ttpt -81.16 2.5 27.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.825 HG23 ' O ' ' A' ' 132' ' ' ASP . 2.8 p -117.42 -16.44 10.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 110.431 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.726 ' HB3' ' CD1' ' A' ' 138' ' ' PHE . . . -104.07 -53.14 2.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 1.106 ' CE2' HG12 ' A' ' 106' ' ' VAL . 0.1 OUTLIER -124.87 62.71 36.66 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.712 ' C ' ' HB2' ' A' ' 144' ' ' ASN . 18.2 Cg_endo -75.04 158.66 41.91 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.495 1.787 . . . . 0.0 110.958 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . 0.769 ' N ' ' CB ' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 163.34 -167.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.268 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . 0.625 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 1.7 m-20 -85.09 -105.08 0.05 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . 0.456 ' HA ' ' OH ' ' A' ' 185' ' ' TYR . 4.5 mtp -66.31 -31.88 72.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -65.08 -61.92 1.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . 0.769 ' CB ' ' N ' ' A' ' 140' ' ' ARG . 1.8 t30 -67.05 -56.41 10.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . 0.717 ' O ' HD12 ' A' ' 149' ' ' LEU . 95.2 m-20 -38.45 -55.17 1.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.44 ' HB2' ' HH ' ' A' ' 185' ' ' TYR . 12.6 ttpt -66.1 -31.91 73.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.161 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.738 ' O ' ' CG1' ' A' ' 150' ' ' ILE . . . -61.66 -46.88 87.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' MET . . . . . 0.897 ' HA ' ' HG2' ' A' ' 151' ' ' MET . 20.0 mtm -58.79 -45.56 89.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.772 ' O ' HG22 ' A' ' 152' ' ' THR . 1.4 mp -58.94 -53.21 60.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 0.738 ' CG1' ' O ' ' A' ' 147' ' ' ALA . 36.3 pt -51.58 -24.46 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' MET . . . . . 0.897 ' HG2' ' HA ' ' A' ' 148' ' ' MET . 0.1 OUTLIER -55.57 -56.93 14.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 111.018 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' THR . . . . . 1.282 ' HG1' ' C ' ' A' ' 173' ' ' THR . 1.0 OUTLIER -60.91 -47.26 87.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.453 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' MET . . . . . 0.72 ' CE ' HD11 ' A' ' 93' ' ' ILE . 14.0 mtt -59.2 -28.62 66.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 111.03 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.953 ' C ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -58.6 -51.54 69.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 1.138 ' O ' HG23 ' A' ' 159' ' ' VAL . 5.0 mp -51.4 -60.03 3.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.252 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 0.826 ' HA ' HG22 ' A' ' 170' ' ' VAL . . . -54.63 -56.69 16.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.741 ' HA ' ' CB ' ' A' ' 161' ' ' SER . 1.3 tmtt? -46.64 -44.7 18.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . 0.607 ' O ' ' CB ' ' A' ' 162' ' ' HIS . 5.8 mptt -81.25 -43.67 18.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' VAL . . . . . 1.138 HG23 ' O ' ' A' ' 155' ' ' LEU . 15.5 t -72.42 -127.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.659 ' HB1' ' SG ' ' A' ' 30' ' ' CYS . . . -27.3 -61.99 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.256 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . 0.741 ' CB ' ' HA ' ' A' ' 157' ' ' LYS . 0.3 OUTLIER -51.23 -11.54 0.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.166 . . . . 0.0 109.978 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . 0.966 ' N ' ' O ' ' A' ' 159' ' ' VAL . 0.2 OUTLIER -151.75 -51.64 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.636 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 1.075 ' HB3' ' HA ' ' A' ' 159' ' ' VAL . . . -106.31 101.49 35.28 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' PRO . . . . . 0.435 ' HD3' ' O ' ' A' ' 162' ' ' HIS . 18.5 Cg_endo -74.98 46.52 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.472 1.775 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 3.1 m -97.66 -15.43 20.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.043 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.578 ' HB3' ' HB2' ' A' ' 169' ' ' ASP . 2.2 mp -144.01 117.01 8.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . 0.867 ' C ' HD22 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -95.12 -81.71 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . 0.65 ' N ' HD22 ' A' ' 38' ' ' LEU . 21.7 ptt180 -53.89 -40.77 66.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 0.0 110.325 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . 0.578 ' HB2' ' HB3' ' A' ' 166' ' ' LEU . 0.0 OUTLIER -60.2 -44.3 95.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 170' ' ' VAL . . . . . 0.826 HG22 ' HA ' ' A' ' 156' ' ' ALA . 1.2 t -52.53 -58.81 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . 1.072 ' CD2' ' HB2' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -51.87 -53.32 41.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.434 1.084 . . . . 0.0 111.007 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 172' ' ' HIS . . . . . 0.654 ' O ' ' CB ' ' A' ' 176' ' ' ASN . 0.5 OUTLIER -51.06 -36.71 41.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.552 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 173' ' ' THR . . . . . 1.282 ' C ' ' HG1' ' A' ' 152' ' ' THR . 2.8 m -51.12 -57.69 8.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.413 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 174' ' ' THR . . . . . 0.763 ' N ' ' OG1' ' A' ' 152' ' ' THR . 24.9 p -53.15 -65.95 0.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.398 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 175' ' ' VAL . . . . . 1.021 HG13 HG22 ' A' ' 17' ' ' THR . 20.8 t -68.51 1.89 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 176' ' ' ASN . . . . . 0.83 ' CG ' HD12 ' A' ' 127' ' ' LEU . 0.0 OUTLIER -80.35 -59.4 2.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 177' ' ' PHE . . . . . 1.011 ' CD2' HD12 ' A' ' 131' ' ' LEU . 0.5 OUTLIER -57.51 -45.5 84.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 178' ' ' ILE . . . . . 0.889 HD11 HD21 ' A' ' 90' ' ' LEU . 7.7 mt -53.76 -56.8 7.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 179' ' ' ASN . . . . . 0.551 ' OD1' ' C ' ' A' ' 179' ' ' ASN . 0.7 OUTLIER -60.32 -36.48 78.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 180' ' ' GLN . . . . . 0.55 ' CD ' ' HB1' ' A' ' 128' ' ' ALA . 4.0 mm-40 -81.27 -13.72 58.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.686 ' N ' ' O ' ' A' ' 177' ' ' PHE . 36.3 t30 -102.4 -151.2 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 182' ' ' LEU . . . . . 0.561 ' H ' ' CG ' ' A' ' 181' ' ' ASN . 0.0 OUTLIER -94.29 52.71 1.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 183' ' ' PHE . . . . . 0.616 ' CZ ' HG21 ' A' ' 16' ' ' ILE . 0.4 OUTLIER 21.37 -89.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 184' ' ' SER . . . . . 0.611 ' N ' ' CG ' ' A' ' 183' ' ' PHE . 4.4 m -69.6 110.63 4.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.963 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 185' ' ' TYR . . . . . 0.551 ' C ' ' CD1' ' A' ' 185' ' ' TYR . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 111.05 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.609 HG21 HG21 ' A' ' 83' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.755 HG21 ' N ' ' A' ' 179' ' ' ASN . 8.9 m -55.57 -62.74 1.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.394 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.44 ' O ' HG12 ' A' ' 21' ' ' VAL . 52.9 t0 -46.0 -35.61 4.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.685 HD13 ' HE1' ' A' ' 84' ' ' HIS . 0.2 OUTLIER -63.15 -32.38 73.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.107 ' CD2' HD22 ' A' ' 90' ' ' LEU . 0.9 OUTLIER -63.26 -62.6 1.59 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 1.051 HG21 ' O ' ' A' ' 171' ' ' PHE . 2.9 p -56.89 -56.77 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 1.014 ' CD1' HD12 ' A' ' 35' ' ' LEU . 0.7 OUTLIER -56.9 -40.77 76.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.962 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -74.88 -32.83 56.44 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.469 1.106 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 1.214 ' CE2' ' HA ' ' A' ' 91' ' ' ALA . 0.3 OUTLIER -56.91 -54.3 48.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 0.77 . . . . 0.0 111.007 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.931 ' HB2' ' CZ ' ' A' ' 171' ' ' PHE . 0.6 OUTLIER -55.87 -43.98 77.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.354 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.828 ' HB2' HD13 ' A' ' 35' ' ' LEU . 12.4 tm0? -61.25 -32.66 72.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.277 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.575 ' HB3' ' HB3' ' A' ' 91' ' ' ALA . 35.9 t -63.59 -88.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.964 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.0 t -143.64 29.44 1.39 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 110.008 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.462 ' HA3' ' CE1' ' A' ' 24' ' ' PHE . . . -78.67 -137.63 1.29 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.542 1.151 . . . . 0.0 111.012 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.456 ' H ' ' CD1' ' A' ' 25' ' ' LEU . 30.0 t -55.0 -98.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.487 ' O ' ' N ' ' A' ' 34' ' ' GLU . 99.6 m -142.47 152.78 43.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 110.415 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 1.045 ' O ' HD23 ' A' ' 35' ' ' LEU . 2.6 tmm_? -42.18 -59.14 1.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.343 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.498 ' O ' ' HB ' ' A' ' 37' ' ' VAL . 14.6 tt0 -53.32 -26.33 18.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.266 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.657 ' C ' HD23 ' A' ' 25' ' ' LEU . 3.2 tp10 -67.69 -52.73 34.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 1.045 HD23 ' O ' ' A' ' 32' ' ' ARG . 0.1 OUTLIER -44.71 -43.6 8.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.631 ' N ' ' HG ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -78.92 -31.69 45.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.649 ' CG1' ' N ' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -61.47 -59.45 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.996 ' CD1' HD23 ' A' ' 167' ' ' LEU . 0.1 OUTLIER -81.97 -39.36 23.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.64 ' HA3' ' O ' ' A' ' 35' ' ' LEU . . . -49.24 -52.54 22.62 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.638 ' O ' ' CG ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.534 0.784 . . . . 0.0 110.346 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.3 pt . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.609 HG21 HG21 ' A' ' 16' ' ' ILE . 14.5 mm -52.14 -41.86 34.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.685 ' HE1' HD13 ' A' ' 19' ' ' LEU . 92.8 m-70 -61.35 -43.33 99.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.605 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.467 ' O ' ' CG ' ' A' ' 88' ' ' ARG . 16.7 t-20 -58.9 -49.74 76.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.562 HG22 ' O ' ' A' ' 83' ' ' ILE . 1.0 OUTLIER -63.37 -29.09 46.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.798 ' HA ' HD23 ' A' ' 20' ' ' LEU . . . -57.52 -56.43 21.96 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.525 1.141 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.467 ' CG ' ' O ' ' A' ' 85' ' ' ASN . 2.8 ptp180 -63.53 -36.32 83.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.586 ' CD2' HG13 ' A' ' 93' ' ' ILE . 19.4 t-160 -61.18 -22.21 64.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.575 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 1.107 HD22 ' CD2' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -58.22 -60.65 3.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 1.214 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . . . -54.37 -55.47 28.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.581 1.175 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -52.08 -31.37 30.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.586 HG13 ' CD2' ' A' ' 89' ' ' HIS . 5.1 mt -69.12 -36.98 75.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -59.47 -51.55 58.43 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -54.12 -53.32 54.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 0.737 . . . . 0.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.469 ' CG ' ' HA ' ' A' ' 93' ' ' ILE . 12.6 pt-20 -64.97 -35.09 80.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.701 ' SD ' HG23 ' A' ' 150' ' ' ILE . 6.7 ttm -46.77 -50.64 17.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.958 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.586 ' HB2' ' HZ3' ' A' ' 157' ' ' LYS . 0.5 OUTLIER -40.79 -28.59 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.459 ' N ' ' C ' ' A' ' 97' ' ' MET . 12.9 t-160 -53.05 -43.57 66.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.587 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.472 ' N ' ' O ' ' A' ' 97' ' ' MET . 15.3 m-80 -144.3 87.48 1.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.819 HG23 ' CB ' ' A' ' 107' ' ' ARG . 1.0 OUTLIER -125.13 82.65 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.932 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 0.0 OUTLIER 153.67 52.02 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.932 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.1 Cg_endo -75.04 10.24 1.79 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.51 1.795 . . . . 0.0 110.955 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.752 HG22 ' C ' ' A' ' 103' ' ' PRO . 0.0 OUTLIER 159.62 3.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.431 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.727 HD23 ' O ' ' A' ' 105' ' ' LEU . 3.1 tt 106.58 26.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 1.009 HG22 ' CD2' ' A' ' 138' ' ' PHE . 1.0 OUTLIER -62.91 -63.51 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.819 ' CB ' HG23 ' A' ' 101' ' ' ILE . 0.0 OUTLIER -52.63 -41.98 64.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 110.3 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.606 ' O ' ' HB3' ' A' ' 112' ' ' GLN . 0.0 OUTLIER -61.83 -29.98 70.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.874 ' C ' HD13 ' A' ' 109' ' ' LEU . 0.7 OUTLIER -62.03 -73.85 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 1.131 ' O ' ' CD2' ' A' ' 113' ' ' PHE . . . -55.03 -47.83 74.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.595 ' O ' ' CG ' ' A' ' 114' ' ' MET . . . -61.84 -13.79 27.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.747 ' HG2' ' N ' ' A' ' 113' ' ' PHE . 1.2 pt20 -62.12 -47.4 84.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 110.324 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 1.131 ' CD2' ' O ' ' A' ' 110' ' ' ALA . 7.7 p90 -66.41 -42.41 87.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.848 ' HG3' ' O ' ' A' ' 114' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.759 ' HA ' HD11 ' A' ' 127' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.443 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 76.5 m-20 -68.38 -43.27 77.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.461 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 7.8 m -53.37 -55.37 25.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 108.279 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 1.045 HD13 ' HA ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -52.43 -70.1 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -46.89 -33.52 4.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.461 ' HB2' ' O ' ' A' ' 126' ' ' CYS . 5.3 mttp -62.49 -24.22 67.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 1.108 ' O ' HG12 ' A' ' 134' ' ' VAL . . . -75.16 -39.53 60.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.761 ' N ' ' CZ ' ' A' ' 177' ' ' PHE . 0.1 OUTLIER -49.08 -47.23 45.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.821 ' O ' HG23 ' A' ' 136' ' ' THR . 0.0 OUTLIER -71.07 -41.38 70.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.652 ' HB3' HD11 ' A' ' 109' ' ' LEU . 0.1 OUTLIER -67.52 -59.6 3.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.1 . . . . 0.0 110.345 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 1.108 HG12 ' O ' ' A' ' 130' ' ' ALA . 6.4 p -48.8 -35.56 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.635 ' O ' ' CD ' ' A' ' 139' ' ' PRO . 8.8 ttpt -75.43 -62.16 1.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.821 HG23 ' O ' ' A' ' 132' ' ' ASP . 17.1 p -44.86 -25.21 0.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.417 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.539 ' C ' ' HD3' ' A' ' 139' ' ' PRO . . . -96.54 -43.84 7.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 1.009 ' CD2' HG22 ' A' ' 106' ' ' VAL . 0.1 OUTLIER -124.79 61.8 32.39 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 110.996 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.657 ' C ' ' HB2' ' A' ' 144' ' ' ASN . 18.4 Cg_endo -75.0 147.98 34.67 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.452 1.764 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . 0.741 ' N ' ' CB ' ' A' ' 144' ' ' ASN . 0.1 OUTLIER 165.73 -170.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.284 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . 0.665 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 13.6 m-20 -88.39 -104.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . 0.524 ' CG ' ' OH ' ' A' ' 185' ' ' TYR . 4.3 ttt -65.74 -32.07 73.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 21.4 mp0 -67.12 -62.67 1.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.262 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . 0.741 ' CB ' ' N ' ' A' ' 140' ' ' ARG . 1.5 t-20 -65.65 -58.95 4.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . 0.665 ' CB ' ' O ' ' A' ' 141' ' ' ASP . 50.6 t0 -40.35 -52.4 2.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.532 ' O ' HD13 ' A' ' 150' ' ' ILE . 2.9 ttmt -68.29 -28.8 67.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.16 . . . . 0.0 109.268 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.583 ' N ' ' O ' ' A' ' 144' ' ' ASN . . . -62.58 -57.29 11.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' MET . . . . . 0.744 ' SD ' HD13 ' A' ' 131' ' ' LEU . 0.4 OUTLIER -54.06 -48.06 70.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 110.983 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.743 ' N ' ' HG3' ' A' ' 148' ' ' MET . 0.2 OUTLIER -55.06 -41.94 72.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.132 . . . . 0.0 109.327 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 0.701 HG23 ' SD ' ' A' ' 97' ' ' MET . 0.6 OUTLIER -56.32 -30.43 30.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.249 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' MET . . . . . 0.852 ' O ' HD12 ' A' ' 155' ' ' LEU . 2.5 mmm -61.8 -52.71 63.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 110.998 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' THR . . . . . 0.894 HG23 ' HA ' ' A' ' 174' ' ' THR . 0.6 OUTLIER -51.53 -53.98 32.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.44 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' MET . . . . . 0.518 ' N ' ' CG2' ' A' ' 152' ' ' THR . 0.3 OUTLIER -67.15 -24.77 65.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.947 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 1.074 ' C ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -56.71 -58.49 7.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 1.072 HD21 ' CZ ' ' A' ' 113' ' ' PHE . 5.1 mp -49.22 -47.12 46.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 1.08 ' O ' ' O ' ' A' ' 159' ' ' VAL . . . -64.48 -53.17 52.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.586 ' HZ3' ' HB2' ' A' ' 98' ' ' ASP . 0.0 OUTLIER -44.87 -45.68 10.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . 0.878 ' O ' ' N ' ' A' ' 163' ' ' ALA . 28.3 mmmt -80.45 -42.5 22.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' VAL . . . . . 1.08 ' O ' ' O ' ' A' ' 156' ' ' ALA . 61.7 t -108.47 148.7 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.783 ' HB3' ' O ' ' A' ' 159' ' ' VAL . . . 101.24 -53.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . 0.432 ' OG ' ' O ' ' A' ' 29' ' ' GLY . 0.2 OUTLIER -117.4 -13.01 10.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 109.995 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . 0.564 ' HB3' ' O ' ' A' ' 158' ' ' LYS . 55.5 t60 -121.94 -40.4 2.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.616 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 1.055 ' O ' HG13 ' A' ' 159' ' ' VAL . . . -130.12 91.5 39.01 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.346 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 51.68 2.85 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.54 1.811 . . . . 0.0 110.986 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . 0.794 ' O ' HD12 ' A' ' 166' ' ' LEU . 10.8 m -109.21 -5.18 16.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.028 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.957 HD23 ' CB ' ' A' ' 169' ' ' ASP . 3.8 mp -141.99 128.29 19.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.259 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . 0.996 HD23 ' CD1' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -101.88 -94.88 0.29 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.341 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . 0.726 ' N ' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -51.89 -33.1 35.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.341 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . 0.957 ' CB ' HD23 ' A' ' 166' ' ' LEU . 1.4 m-20 -65.59 -45.94 81.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.333 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 170' ' ' VAL . . . . . 0.764 ' CG2' HG12 ' A' ' 159' ' ' VAL . 0.4 OUTLIER -56.16 -57.02 10.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . 1.051 ' O ' HG21 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -64.26 -51.75 62.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 110.977 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 172' ' ' HIS . . . . . 0.47 ' CB ' ' O ' ' A' ' 168' ' ' ARG . 23.7 t-160 -58.53 -25.11 62.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.59 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 173' ' ' THR . . . . . 1.045 ' HA ' HD13 ' A' ' 127' ' ' LEU . 1.2 m -68.43 -44.68 74.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.423 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 174' ' ' THR . . . . . 0.894 ' HA ' HG23 ' A' ' 152' ' ' THR . 0.2 OUTLIER -63.98 -67.7 0.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.448 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 175' ' ' VAL . . . . . 1.004 HG23 ' HB ' ' A' ' 21' ' ' VAL . 1.5 t -63.13 7.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 176' ' ' ASN . . . . . 0.78 ' HB3' ' O ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -73.4 -58.36 3.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 177' ' ' PHE . . . . . 0.798 ' CE2' ' HB2' ' A' ' 151' ' ' MET . 3.8 m-30 -60.8 -47.29 87.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 178' ' ' ILE . . . . . 0.842 HG23 ' O ' ' A' ' 182' ' ' LEU . 1.9 mt -61.88 -45.69 98.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 179' ' ' ASN . . . . . 0.755 ' N ' HG21 ' A' ' 17' ' ' THR . 4.6 t30 -56.04 -39.24 71.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 180' ' ' GLN . . . . . 0.484 ' HB3' ' O ' ' A' ' 177' ' ' PHE . 9.7 tp60 -50.48 -100.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 0.0 110.337 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.47 ' C ' HD13 ' A' ' 182' ' ' LEU . 5.9 t30 -124.16 -2.9 8.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 182' ' ' LEU . . . . . 0.842 ' O ' HG23 ' A' ' 178' ' ' ILE . 0.2 OUTLIER -95.85 40.96 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.419 1.074 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 183' ' ' PHE . . . . . 0.535 ' CZ ' ' HB ' ' A' ' 16' ' ' ILE . 5.7 t80 -32.75 -35.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.975 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 184' ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' ' 182' ' ' LEU . 24.8 t -178.36 90.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.019 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 185' ' ' TYR . . . . . 0.602 ' CD1' ' OD2' ' A' ' 145' ' ' ASP . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.433 HD13 ' HA ' ' A' ' 16' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.963 HG22 HG13 ' A' ' 175' ' ' VAL . 6.6 m -55.57 -62.34 1.75 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 110.425 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -46.63 -36.45 6.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.464 ' HG ' ' CE1' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -62.56 -32.98 74.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.091 HD21 HD22 ' A' ' 90' ' ' LEU . 1.1 tm? -65.3 -41.37 94.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.96 ' HB ' HG21 ' A' ' 175' ' ' VAL . 0.4 OUTLIER -59.8 -61.79 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.787 ' CE1' ' HB3' ' A' ' 35' ' ' LEU . 2.0 t80 -66.17 -27.27 67.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.488 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -75.56 -41.87 28.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 1.203 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 0.2 OUTLIER -55.96 -53.09 61.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 0.761 . . . . 0.0 111.026 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 1.034 HD22 ' CE1' ' A' ' 171' ' ' PHE . 6.5 tp -56.48 -44.18 80.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.68 ' CA ' HD21 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -55.94 -34.78 65.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.604 ' N ' ' HG3' ' A' ' 26' ' ' GLN . 6.1 t -63.28 -74.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 110.008 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.7 t -143.01 47.9 1.51 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.012 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.635 ' HA3' HD12 ' A' ' 25' ' ' LEU . . . -87.62 -140.63 6.74 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.517 1.136 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.541 ' HB3' ' CG ' ' A' ' 34' ' ' GLU . 34.8 t -87.07 -93.1 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.476 ' H ' ' HB2' ' A' ' 34' ' ' GLU . 2.9 p -145.25 173.59 11.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.393 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -49.4 -54.61 16.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.918 ' O ' HG23 ' A' ' 37' ' ' VAL . 9.9 tt0 -51.11 -29.44 13.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.234 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.549 ' CG ' HD21 ' A' ' 25' ' ' LEU . 3.5 tp10 -67.84 -58.49 4.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.963 ' HG ' ' HB3' ' A' ' 25' ' ' LEU . 7.2 mp -45.17 -35.61 3.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.155 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 1.1 tt0 -66.33 -50.5 63.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.267 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.918 HG23 ' O ' ' A' ' 33' ' ' GLN . 1.9 t -64.09 -58.92 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.354 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 1.005 HD21 ' HG ' ' A' ' 167' ' ' LEU . 4.7 mt -66.96 -50.53 62.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.265 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.688 ' HA3' ' O ' ' A' ' 35' ' ' LEU . . . -56.43 -54.68 34.29 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.542 1.151 . . . . 0.0 111.042 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.494 ' CB ' ' O ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.772 . . . . 0.0 110.319 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.513 HG22 ' N ' ' A' ' 83' ' ' ILE . 50.5 mm . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.513 ' N ' HG22 ' A' ' 82' ' ' ILE . 7.0 mm -61.36 -42.71 94.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.646 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 92.4 m-70 -62.86 -38.22 89.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.627 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.44 ' HB3' ' O ' ' A' ' 82' ' ' ILE . 7.0 t30 -56.9 -52.48 64.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.454 ' CG1' ' O ' ' A' ' 83' ' ' ILE . 4.3 pt -61.37 -30.39 47.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.838 ' HA ' HD23 ' A' ' 20' ' ' LEU . . . -55.45 -51.36 67.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.583 ' O ' ' CB ' ' A' ' 27' ' ' SER . 12.2 mtt180 -64.7 -44.88 88.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.499 ' O ' ' HB ' ' A' ' 93' ' ' ILE . 5.5 t60 -54.31 -22.15 11.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.613 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 1.091 HD22 HD21 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -55.88 -66.09 0.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 1.203 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -52.66 -55.29 23.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.97 -28.78 7.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.294 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.534 ' O ' ' N ' ' A' ' 97' ' ' MET . 0.1 OUTLIER -72.48 -32.25 41.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.515 ' HA2' ' CE ' ' A' ' 153' ' ' MET . . . -59.54 -51.73 57.32 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.498 1.124 . . . . 0.0 110.967 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -64.8 -51.84 60.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 0.753 . . . . 0.0 109.357 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' A' ' 99' ' ' HIS . 1.6 tp10 -61.45 -38.87 88.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.54 ' SD ' ' CD1' ' A' ' 150' ' ' ILE . 4.6 mmt -51.27 -50.54 59.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -41.31 -26.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.332 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.47 ' N ' ' C ' ' A' ' 97' ' ' MET . 3.6 t60 -57.37 -47.77 80.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.615 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.466 ' N ' ' O ' ' A' ' 97' ' ' MET . 0.7 OUTLIER -143.01 84.26 1.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.701 ' CG2' ' O ' ' A' ' 101' ' ' ILE . 0.1 OUTLIER -140.47 92.64 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.918 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 0.0 OUTLIER 151.97 52.15 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.316 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.918 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.2 Cg_endo -75.01 12.99 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.0 111.011 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.76 HG22 ' C ' ' A' ' 103' ' ' PRO . 0.0 OUTLIER 160.13 5.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.404 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.803 HD23 ' O ' ' A' ' 105' ' ' LEU . 4.6 tt 106.99 33.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.995 HG22 ' CD2' ' A' ' 138' ' ' PHE . 1.8 t -63.48 -81.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.806 ' N ' HG12 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -51.98 -32.22 32.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.321 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.429 ' CB ' ' HG ' ' A' ' 105' ' ' LEU . 2.9 mm-40 -63.11 -33.61 75.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.318 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 1.284 HD12 ' N ' ' A' ' 110' ' ' ALA . 0.0 OUTLIER -62.61 -59.89 4.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.358 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 1.284 ' N ' HD12 ' A' ' 109' ' ' LEU . . . -46.01 -58.05 3.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.776 ' HB2' HD11 ' A' ' 154' ' ' LEU . . . -60.4 -17.32 43.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.921 ' NE2' HD13 ' A' ' 109' ' ' LEU . 0.3 OUTLIER -64.57 -44.12 91.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 1.214 ' CD2' ' O ' ' A' ' 110' ' ' ALA . 3.1 p90 -63.38 -40.27 96.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 111.049 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.857 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 1.8 ttt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.807 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 35.8 mtm180 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -47.73 -19.88 0.24 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.629 ' HB3' ' CD1' ' A' ' 113' ' ' PHE . 0.1 OUTLIER -42.11 -47.41 4.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 108.286 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 1.091 HD13 ' HA ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -54.16 -69.78 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.435 ' HB1' ' CD ' ' A' ' 180' ' ' GLN . . . -50.14 -29.58 9.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -59.61 -29.12 67.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 1.116 ' HB2' ' CE2' ' A' ' 113' ' ' PHE . . . -72.41 -47.51 48.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.842 ' HG ' HD21 ' A' ' 182' ' ' LEU . 0.1 OUTLIER -40.07 -48.83 2.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.814 ' O ' ' HB ' ' A' ' 136' ' ' THR . 0.9 OUTLIER -64.62 -52.79 55.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.715 ' O ' HG22 ' A' ' 136' ' ' THR . 13.1 mm-40 -53.77 -66.79 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 1.077 HG23 ' CE2' ' A' ' 138' ' ' PHE . 0.2 OUTLIER -53.12 -38.17 29.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.687 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 0.2 OUTLIER -80.12 13.67 2.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.814 ' HB ' ' O ' ' A' ' 132' ' ' ASP . 0.6 OUTLIER -128.93 -14.0 4.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.42 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.65 ' C ' ' HD3' ' A' ' 139' ' ' PRO . . . -102.38 -56.91 2.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 1.077 ' CE2' HG23 ' A' ' 134' ' ' VAL . 0.1 OUTLIER -124.43 47.8 2.12 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 111.0 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.699 ' HD3' ' N ' ' A' ' 138' ' ' PHE . 18.3 Cg_endo -74.95 157.54 42.91 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.464 1.771 . . . . 0.0 111.018 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . 0.792 ' CB ' ' HB2' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 169.61 -144.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . 0.529 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 1.5 m-20 -87.12 -146.83 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . 0.573 ' O ' ' OH ' ' A' ' 185' ' ' TYR . 13.1 ttp -54.79 -31.46 58.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 111.001 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.89 -62.23 1.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.285 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . 0.792 ' HB2' ' CB ' ' A' ' 140' ' ' ARG . 1.0 OUTLIER -74.36 -53.72 9.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . 0.594 ' HA ' ' HE3' ' A' ' 148' ' ' MET . 29.0 t0 -38.98 -57.04 1.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.581 ' N ' ' OH ' ' A' ' 185' ' ' TYR . 10.7 ttmt -46.72 -30.83 2.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.724 ' HB3' ' O ' ' A' ' 144' ' ' ASN . . . -56.81 -55.03 39.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' MET . . . . . 0.707 ' HA ' HG21 ' A' ' 134' ' ' VAL . 7.3 ptp -53.46 -41.14 65.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.965 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.502 ' N ' ' CG ' ' A' ' 148' ' ' MET . 0.1 OUTLIER -61.33 -41.93 97.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 0.588 ' O ' ' HG3' ' A' ' 153' ' ' MET . 17.4 mt -54.49 -27.42 17.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.168 . . . . 0.0 109.343 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' MET . . . . . 1.016 ' HB2' ' CZ ' ' A' ' 177' ' ' PHE . 0.5 OUTLIER -62.88 -48.44 79.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' THR . . . . . 0.91 ' OG1' ' O ' ' A' ' 173' ' ' THR . 0.8 OUTLIER -54.15 -55.52 27.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.126 . . . . 0.0 110.388 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' MET . . . . . 0.588 ' HG3' ' O ' ' A' ' 150' ' ' ILE . 0.0 OUTLIER -65.79 -25.15 67.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 111.029 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.935 ' C ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -53.71 -60.06 3.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 1.002 ' HB2' HG21 ' A' ' 173' ' ' THR . 3.6 mp -50.71 -45.96 58.69 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 1.138 ' O ' ' N ' ' A' ' 160' ' ' ALA . . . -60.55 -64.59 0.9 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.608 ' O ' ' HB2' ' A' ' 162' ' ' HIS . 0.0 OUTLIER -44.67 -36.85 3.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.256 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . 0.826 ' O ' ' N ' ' A' ' 163' ' ' ALA . 4.5 mmtt -81.05 -38.68 27.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' VAL . . . . . 0.88 HG13 ' O ' ' A' ' 163' ' ' ALA . 6.8 t -100.01 -47.73 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 1.138 ' N ' ' O ' ' A' ' 156' ' ' ALA . . . -24.08 -69.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.92 -6.55 5.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 0.0 109.975 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . 0.656 ' CB ' ' O ' ' A' ' 158' ' ' LYS . 1.8 m-70 -87.17 -41.99 13.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 109.589 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 0.88 ' O ' HG13 ' A' ' 159' ' ' VAL . . . -132.23 89.61 36.85 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 49.26 2.21 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.462 1.769 . . . . 0.0 111.033 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . 0.598 ' O ' HD22 ' A' ' 166' ' ' LEU . 0.9 OUTLIER -94.71 -24.34 17.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.986 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.742 HD12 ' HB2' ' A' ' 169' ' ' ASP . 0.3 OUTLIER -142.85 118.1 10.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . 1.005 ' HG ' HD21 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -85.93 -77.04 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . 0.501 ' HG3' ' N ' ' A' ' 169' ' ' ASP . 0.4 OUTLIER -51.11 -39.96 57.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.289 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . 0.742 ' HB2' HD12 ' A' ' 166' ' ' LEU . 0.1 OUTLIER -59.96 -39.9 87.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 170' ' ' VAL . . . . . 0.892 ' CG1' HD13 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -52.21 -56.64 5.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . 1.034 ' CE1' HD22 ' A' ' 25' ' ' LEU . 1.1 m-30 -61.77 -52.15 65.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 172' ' ' HIS . . . . . 0.575 ' O ' ' CB ' ' A' ' 176' ' ' ASN . 4.7 t60 -52.22 -35.84 50.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.565 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 173' ' ' THR . . . . . 1.091 ' HA ' HD13 ' A' ' 127' ' ' LEU . 26.5 m -61.05 -52.29 65.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 110.38 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 174' ' ' THR . . . . . 0.904 ' HA ' HG23 ' A' ' 152' ' ' THR . 40.2 p -59.46 -64.1 1.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.387 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 175' ' ' VAL . . . . . 0.963 HG13 HG22 ' A' ' 17' ' ' THR . 2.1 t -66.24 -0.14 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 176' ' ' ASN . . . . . 0.846 ' HB3' ' O ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -72.18 -59.35 2.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 177' ' ' PHE . . . . . 1.016 ' CZ ' ' HB2' ' A' ' 151' ' ' MET . 5.8 m-85 -52.04 -44.31 64.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 178' ' ' ILE . . . . . 0.806 ' CG2' HG23 ' A' ' 17' ' ' THR . 2.3 mt -63.24 -54.81 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 179' ' ' ASN . . . . . 0.549 ' C ' ' ND2' ' A' ' 179' ' ' ASN . 0.1 OUTLIER -53.88 -35.38 61.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 180' ' ' GLN . . . . . 0.596 ' HB2' ' O ' ' A' ' 177' ' ' PHE . 26.2 mm-40 -51.26 -101.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.583 1.177 . . . . 0.0 110.29 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.563 ' C ' HD13 ' A' ' 182' ' ' LEU . 17.5 t-20 -119.19 -5.33 10.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 182' ' ' LEU . . . . . 0.881 HD13 ' N ' ' A' ' 182' ' ' LEU . 0.0 OUTLIER -93.67 22.75 5.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 183' ' ' PHE . . . . . 0.586 ' N ' ' O ' ' A' ' 178' ' ' ILE . 1.3 t80 -35.28 -31.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 184' ' ' SER . . . . . 0.511 ' N ' ' O ' ' A' ' 182' ' ' LEU . 0.0 OUTLIER -154.55 119.32 4.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.051 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 185' ' ' TYR . . . . . 0.581 ' OH ' ' N ' ' A' ' 146' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.823 HD12 ' CG2' ' A' ' 83' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 1.005 HG22 HG13 ' A' ' 175' ' ' VAL . 5.3 m -49.6 -43.34 46.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.394 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.97 -39.31 59.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.559 ' O ' ' N ' ' A' ' 23' ' ' GLY . 1.2 mm? -64.23 -29.84 70.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.095 HD21 HD22 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -63.1 -49.4 74.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.956 ' HB ' HG21 ' A' ' 175' ' ' VAL . 0.5 OUTLIER -58.29 -62.46 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 1.039 ' CE1' HD12 ' A' ' 35' ' ' LEU . 0.9 OUTLIER -62.18 -32.8 73.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -75.64 -34.73 48.49 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.12 . . . . 0.0 111.041 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 1.262 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 5.6 t80 -52.86 -58.73 5.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.788 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.876 ' HB2' ' CZ ' ' A' ' 171' ' ' PHE . 0.5 OUTLIER -57.05 -43.16 81.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.713 ' HB2' HD13 ' A' ' 35' ' ' LEU . 17.0 tt0 -54.05 -33.73 58.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.536 ' CB ' ' O ' ' A' ' 88' ' ' ARG . 0.6 OUTLIER -68.03 -93.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.972 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.8 41.67 1.31 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.023 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.578 ' HA3' HD12 ' A' ' 25' ' ' LEU . . . -78.78 -119.2 0.25 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.445 ' HB3' ' HG2' ' A' ' 34' ' ' GLU . 49.7 t -77.68 -93.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 34' ' ' GLU . 0.6 OUTLIER -141.62 150.73 42.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 110.405 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.989 ' O ' HD23 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -42.71 -55.17 3.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 110.327 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -55.0 -26.14 34.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.711 ' C ' HD23 ' A' ' 25' ' ' LEU . 6.6 tp10 -68.45 -55.78 10.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 1.039 HD12 ' CE1' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -44.53 -36.51 3.01 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.484 ' N ' ' HG ' ' A' ' 35' ' ' LEU . 14.5 tm-20 -71.25 -46.28 61.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.81 HG13 HD23 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -61.0 -57.68 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 1.089 HD21 ' HB2' ' A' ' 167' ' ' LEU . 11.4 mt -69.22 -42.01 76.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.575 ' HA3' ' CD1' ' A' ' 22' ' ' PHE . . . -46.76 -41.81 13.85 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.566 0.803 . . . . 0.0 110.279 -179.994 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 27.2 mm . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.823 ' CG2' HD12 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -52.33 -32.36 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.676 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 56.7 m80 -63.64 -60.18 3.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.565 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.428 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 15.8 t-20 -53.76 -47.14 70.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.572 HG22 HD13 ' A' ' 83' ' ' ILE . 0.1 OUTLIER -62.46 -30.27 48.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.329 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.942 ' HA ' HD22 ' A' ' 20' ' ' LEU . . . -56.43 -60.75 3.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.536 ' O ' ' CB ' ' A' ' 27' ' ' SER . 4.5 ptt85 -64.71 -37.68 88.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.411 ' HB3' ' HA ' ' A' ' 86' ' ' ILE . 19.2 t-160 -53.97 -24.19 15.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.602 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 1.095 HD22 HD21 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -54.66 -60.83 2.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 1.262 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -53.14 -56.27 17.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -49.95 -28.87 7.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.113 . . . . 0.0 110.29 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.613 HG22 ' O ' ' A' ' 90' ' ' LEU . 0.1 OUTLIER -70.8 -36.02 62.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.08 . . . . 0.0 109.286 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -58.56 -53.28 47.3 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.413 ' O ' ' OD1' ' A' ' 98' ' ' ASP . 22.3 t70 -61.29 -52.66 63.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 0.745 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -37.69 79.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.557 ' SD ' ' O ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -51.12 -49.36 60.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 111.017 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 99' ' ' HIS . 1.3 p-10 -38.55 -30.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.464 ' N ' ' O ' ' A' ' 97' ' ' MET . 25.6 t60 -54.66 -49.38 70.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.142 . . . . 0.0 109.615 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.494 ' N ' ' O ' ' A' ' 97' ' ' MET . 39.5 t-20 -146.49 87.62 1.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.356 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.632 HG22 ' O ' ' A' ' 101' ' ' ILE . 0.3 OUTLIER -145.36 101.07 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.915 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 0.0 OUTLIER 163.11 48.86 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 110.321 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.915 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.1 Cg_endo -75.04 7.13 3.01 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.544 1.813 . . . . 0.0 110.963 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.999 ' O ' HD22 ' A' ' 105' ' ' LEU . 0.8 OUTLIER 168.43 -3.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.421 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.999 HD22 ' O ' ' A' ' 104' ' ' THR . 0.2 OUTLIER 111.83 39.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 1.158 HG12 ' CE2' ' A' ' 138' ' ' PHE . 1.8 m -50.25 -70.56 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.337 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.784 ' H ' HG23 ' A' ' 106' ' ' VAL . 7.9 ttt-85 -48.39 -43.26 33.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.261 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.41 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 38.9 mt-30 -70.28 -21.92 62.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 1.359 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 0.3 OUTLIER -69.07 -64.73 0.81 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 1.193 ' O ' ' CD2' ' A' ' 113' ' ' PHE . . . -68.08 -36.05 79.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.691 ' CB ' ' O ' ' A' ' 107' ' ' ARG . . . -63.21 -36.88 85.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 1.359 ' HG3' ' O ' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -51.68 -58.33 6.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.309 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 1.193 ' CD2' ' O ' ' A' ' 110' ' ' ALA . 1.0 OUTLIER -52.62 -43.43 65.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.825 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 9.3 tpt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.972 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.787 ' HA ' HD11 ' A' ' 127' ' ' LEU . 2.0 ttm180 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.453 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 2.4 m-20 -67.62 -43.31 80.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.475 ' HB3' ' CD1' ' A' ' 113' ' ' PHE . 0.1 OUTLIER -52.88 -57.55 9.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 108.288 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.9 HD13 ' HA ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -53.43 -63.12 1.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 0.0 109.327 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.994 ' O ' HD23 ' A' ' 131' ' ' LEU . . . -44.87 -44.06 9.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.453 ' HB2' ' O ' ' A' ' 125' ' ' ASN . 0.0 OUTLIER -62.28 -17.12 57.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 1.164 ' HB2' ' CD2' ' A' ' 113' ' ' PHE . . . -74.25 -49.45 23.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.994 HD23 ' O ' ' A' ' 128' ' ' ALA . 0.0 OUTLIER -46.9 -40.78 14.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.66 ' O ' HG23 ' A' ' 136' ' ' THR . 4.2 m-20 -65.61 -48.68 71.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.342 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.845 ' CB ' HD21 ' A' ' 109' ' ' LEU . 1.9 mm-40 -57.76 -58.78 6.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 1.133 HG23 ' CE2' ' A' ' 138' ' ' PHE . 0.2 OUTLIER -54.58 -39.36 45.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.565 ' NZ ' HD11 ' A' ' 131' ' ' LEU . 18.9 mtmt -74.71 -0.29 17.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.777 ' OG1' ' O ' ' A' ' 133' ' ' GLU . 2.4 p -116.78 -15.59 10.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.145 . . . . 0.0 110.387 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.716 ' HB3' ' CD1' ' A' ' 138' ' ' PHE . . . -101.52 -54.95 2.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 1.158 ' CE2' HG12 ' A' ' 106' ' ' VAL . 0.1 OUTLIER -125.8 64.77 51.82 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 111.015 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.62 ' C ' ' HB2' ' A' ' 144' ' ' ASN . 18.2 Cg_endo -75.0 157.15 42.93 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.499 1.789 . . . . 0.0 110.956 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . 0.809 ' N ' ' CB ' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 169.66 -167.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.294 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . 0.615 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 10.7 m-20 -86.46 -106.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 3.7 ptt? -69.21 -31.67 70.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.72 -60.25 3.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.331 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . 0.809 ' CB ' ' N ' ' A' ' 140' ' ' ARG . 1.3 t30 -67.33 -56.26 10.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . 0.615 ' CB ' ' O ' ' A' ' 141' ' ' ASP . 55.4 t0 -39.08 -56.41 1.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.679 ' O ' HD13 ' A' ' 150' ' ' ILE . 4.2 ttmt -64.82 -28.39 69.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.639 ' HB3' ' O ' ' A' ' 144' ' ' ASN . . . -62.05 -57.19 12.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' MET . . . . . 0.895 ' HE3' ' CD2' ' A' ' 177' ' ' PHE . 0.0 OUTLIER -50.54 -47.49 57.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 111.037 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.78 ' N ' ' HG3' ' A' ' 148' ' ' MET . 0.9 OUTLIER -52.7 -40.2 62.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 0.679 HD13 ' O ' ' A' ' 146' ' ' LYS . 1.3 mp -62.0 -25.13 36.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' MET . . . . . 1.044 ' HG2' HG11 ' A' ' 134' ' ' VAL . 0.0 OUTLIER -57.62 -57.79 11.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.969 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' THR . . . . . 1.161 ' OG1' ' O ' ' A' ' 173' ' ' THR . 4.8 t -57.14 -48.42 78.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.422 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' MET . . . . . 0.444 ' CE ' HD12 ' A' ' 150' ' ' ILE . 49.1 mtm -64.45 -28.01 69.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.972 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 1.084 ' C ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -55.67 -53.92 50.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 1.185 ' O ' HG23 ' A' ' 159' ' ' VAL . 4.8 mp -47.44 -58.72 3.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 0.927 ' HA ' HG22 ' A' ' 170' ' ' VAL . . . -54.89 -52.12 63.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.738 ' HA ' ' CB ' ' A' ' 161' ' ' SER . 0.4 OUTLIER -46.03 -49.56 16.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.263 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . 0.63 ' HD3' HD23 ' A' ' 154' ' ' LEU . 0.1 OUTLIER -75.79 -43.47 46.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.309 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' VAL . . . . . 1.185 HG23 ' O ' ' A' ' 155' ' ' LEU . 7.2 t -71.86 -129.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.722 ' H ' HG21 ' A' ' 170' ' ' VAL . . . -25.65 -62.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . 0.738 ' CB ' ' HA ' ' A' ' 157' ' ' LYS . 0.5 OUTLIER -49.74 -12.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.003 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . 0.977 ' N ' ' O ' ' A' ' 159' ' ' VAL . 0.3 OUTLIER -151.53 -49.64 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.604 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 1.079 ' N ' ' O ' ' A' ' 159' ' ' VAL . . . -110.34 93.92 17.24 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 164' ' ' PRO . . . . . 0.462 ' HD3' ' O ' ' A' ' 162' ' ' HIS . 18.2 Cg_endo -74.97 61.53 5.66 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.545 1.813 . . . . 0.0 110.967 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.88 -47.23 3.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.983 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.63 HD12 ' CG1' ' A' ' 159' ' ' VAL . 0.0 OUTLIER -117.61 66.42 0.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.262 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . 1.089 ' HB2' HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -53.56 -70.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . 1.032 ' H ' HD13 ' A' ' 167' ' ' LEU . 4.8 ptt85 -46.55 -46.67 19.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.333 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . 0.59 ' N ' ' HG3' ' A' ' 168' ' ' ARG . 29.2 m-20 -65.07 -37.06 86.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.102 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 170' ' ' VAL . . . . . 0.927 HG22 ' HA ' ' A' ' 156' ' ' ALA . 1.2 t -51.77 -60.45 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . 1.031 ' CD2' ' HB2' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -53.2 -53.01 56.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 172' ' ' HIS . . . . . 0.498 ' O ' ' HB3' ' A' ' 176' ' ' ASN . 20.8 t-160 -52.16 -33.58 41.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.591 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 173' ' ' THR . . . . . 1.161 ' O ' ' OG1' ' A' ' 152' ' ' THR . 48.9 m -60.05 -55.96 27.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.58 1.175 . . . . 0.0 110.42 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 174' ' ' THR . . . . . 0.562 ' HA ' ' OG1' ' A' ' 152' ' ' THR . 17.4 p -53.35 -64.8 0.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.412 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 175' ' ' VAL . . . . . 1.005 HG13 HG22 ' A' ' 17' ' ' THR . 11.7 t -69.82 8.43 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 176' ' ' ASN . . . . . 0.826 ' HB3' ' O ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -78.88 -54.9 5.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 177' ' ' PHE . . . . . 0.895 ' CD2' ' HE3' ' A' ' 148' ' ' MET . 0.8 OUTLIER -59.32 -52.78 64.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 178' ' ' ILE . . . . . 0.791 HD12 ' HA ' ' A' ' 175' ' ' VAL . 1.8 mt -51.66 -51.51 26.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -56.96 -39.93 75.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -92.87 2.93 56.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.95 ' OD1' HD22 ' A' ' 182' ' ' LEU . 6.7 t-20 -100.4 -147.43 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 182' ' ' LEU . . . . . 0.95 HD22 ' OD1' ' A' ' 181' ' ' ASN . 0.0 OUTLIER -96.67 42.36 1.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 183' ' ' PHE . . . . . 0.843 ' O ' ' CG ' ' A' ' 183' ' ' PHE . 1.7 t80 25.64 46.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 111.004 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 184' ' ' SER . . . . . 0.582 ' CB ' ' O ' ' A' ' 183' ' ' PHE . 1.7 m 153.34 132.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.103 . . . . 0.0 110.004 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 185' ' ' TYR . . . . . 0.591 ' CZ ' ' HB2' ' A' ' 146' ' ' LYS . 25.1 t80 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 111.025 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.702 HD11 ' CE1' ' A' ' 84' ' ' HIS . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.76 HG23 ' CG2' ' A' ' 178' ' ' ILE . 87.8 m -53.51 -45.99 69.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.368 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -50.84 -41.02 57.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 23' ' ' GLY . 3.9 mm? -65.12 -27.3 68.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.952 ' CG ' HD22 ' A' ' 90' ' ' LEU . 2.0 tm? -63.13 -42.75 99.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 1.135 ' HB ' HG21 ' A' ' 175' ' ' VAL . 0.4 OUTLIER -61.27 -61.68 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.845 ' CD1' ' HG ' ' A' ' 35' ' ' LEU . 3.7 t80 -61.36 -32.98 72.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -76.11 -36.14 41.54 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.452 1.095 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 1.159 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 1.9 t80 -51.85 -56.2 15.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 0.75 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 1.009 HD22 ' CE1' ' A' ' 171' ' ' PHE . 0.3 OUTLIER -58.97 -43.8 91.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.759 ' HB2' HD12 ' A' ' 35' ' ' LEU . 3.3 tt0 -54.06 -31.68 52.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.568 1.167 . . . . 0.0 110.278 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.568 ' CB ' ' O ' ' A' ' 88' ' ' ARG . 34.1 t -67.04 -96.59 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.009 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.43 33.65 1.31 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.008 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.432 ' HA3' HD12 ' A' ' 25' ' ' LEU . . . -77.42 -103.76 0.17 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.459 1.1 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.765 ' SG ' ' HB1' ' A' ' 160' ' ' ALA . 0.8 OUTLIER -88.76 -98.22 0.09 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.495 HG22 ' HG3' ' A' ' 32' ' ' ARG . 47.4 m -147.88 157.14 43.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.371 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.495 ' HG3' HG22 ' A' ' 31' ' ' THR . 0.0 OUTLIER -44.34 -53.03 7.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.296 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -59.55 -27.4 66.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.282 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.697 ' C ' HD23 ' A' ' 25' ' ' LEU . 2.0 tp10 -67.6 -55.01 15.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.1 . . . . 0.0 110.296 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 1.094 HD23 ' N ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -48.39 -32.96 8.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 1.094 ' N ' HD23 ' A' ' 35' ' ' LEU . 26.3 tt0 -70.85 -49.26 48.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.963 HG13 HD23 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -63.76 -56.86 14.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.963 HD23 HG13 ' A' ' 37' ' ' VAL . 9.7 mt -64.59 -43.84 92.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.817 ' HA3' ' CD2' ' A' ' 22' ' ' PHE . . . -59.82 -51.96 55.81 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.48 0.753 . . . . 0.0 110.292 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.477 ' O ' ' CG1' ' A' ' 86' ' ' ILE . 0.7 OUTLIER -52.79 -46.49 51.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.712 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 69.9 m80 -61.4 -36.69 81.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.646 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.525 ' O ' ' CG ' ' A' ' 88' ' ' ARG . 3.3 t30 -55.51 -51.26 67.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.477 ' CG1' ' O ' ' A' ' 83' ' ' ILE . 2.5 pt -63.19 -27.39 43.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.901 ' HA ' HD23 ' A' ' 20' ' ' LEU . . . -55.51 -55.92 26.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.568 ' O ' ' CB ' ' A' ' 27' ' ' SER . 9.0 ptp180 -63.68 -40.92 98.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.267 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.532 ' NE2' ' CD1' ' A' ' 93' ' ' ILE . 11.8 t-160 -58.64 -18.73 32.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.584 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.952 HD22 ' CG ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -61.0 -67.36 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 1.159 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -48.93 -54.53 15.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.418 ' HB2' ' OG ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -51.91 -27.12 11.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.532 ' CD1' ' NE2' ' A' ' 89' ' ' HIS . 1.1 tp -69.29 -36.89 74.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.73 -54.82 30.9 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -63.1 -49.22 75.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 0.776 . . . . 0.0 109.327 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -60.66 -45.14 95.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.627 ' HG3' HD11 ' A' ' 150' ' ' ILE . 15.0 mmm -54.58 -30.37 54.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.102 . . . . 0.0 111.039 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 97' ' ' MET . 44.4 t0 -37.36 -32.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 97' ' ' MET . 0.6 OUTLIER -51.82 -48.68 63.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.605 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 97' ' ' MET . 1.2 t-20 -144.6 86.57 1.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.867 HG23 ' O ' ' A' ' 101' ' ' ILE . 0.7 OUTLIER -117.13 54.5 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.673 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 0.0 OUTLIER 157.26 58.59 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.365 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.673 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.3 Cg_endo -75.01 3.69 5.4 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.469 1.773 . . . . 0.0 110.985 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.712 ' O ' HD23 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -172.64 5.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.395 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.921 HD12 ' O ' ' A' ' 105' ' ' LEU . 0.5 OUTLIER 103.88 28.85 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 1.233 HG22 ' CE2' ' A' ' 138' ' ' PHE . 0.9 OUTLIER -64.27 -79.44 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.142 . . . . 0.0 109.305 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.925 ' N ' HG12 ' A' ' 106' ' ' VAL . 4.8 ttp180 -55.59 -21.55 17.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.328 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.468 ' O ' ' HB3' ' A' ' 112' ' ' GLN . 18.6 tt0 -65.27 -40.72 94.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 110.272 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 1.248 HD12 ' N ' ' A' ' 110' ' ' ALA . 0.2 OUTLIER -63.79 -61.32 2.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 1.248 ' N ' HD12 ' A' ' 109' ' ' LEU . . . -50.26 -53.6 27.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.43 -16.03 59.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.761 ' HG2' ' N ' ' A' ' 113' ' ' PHE . 0.7 OUTLIER -63.45 -46.79 84.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 1.139 ' CD2' ' O ' ' A' ' 110' ' ' ALA . 3.3 p90 -63.5 -43.17 98.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.827 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 2.0 ttm . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.663 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 48.9 ttt180 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.438 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 7.8 t-20 -68.81 -35.21 76.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.565 ' HB3' ' CD1' ' A' ' 113' ' ' PHE . 0.5 OUTLIER -48.74 -59.4 3.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 108.294 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.915 ' HA ' ' CZ ' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -51.31 -67.57 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -43.82 -33.04 1.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 125' ' ' ASN . 0.3 OUTLIER -55.79 -34.74 65.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.348 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 1.054 ' HB2' ' CD2' ' A' ' 113' ' ' PHE . . . -72.49 -38.37 68.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 1.038 HD23 ' HZ2' ' A' ' 135' ' ' LYS . 0.0 OUTLIER -48.3 -44.21 33.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 1.103 ' O ' ' OG1' ' A' ' 136' ' ' THR . 32.4 t0 -67.71 -62.11 1.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.665 ' HB3' HD13 ' A' ' 109' ' ' LEU . 3.9 mm-40 -52.01 -61.76 2.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 1.022 HG12 ' O ' ' A' ' 130' ' ' ALA . 9.6 p -58.4 -44.06 87.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 1.038 ' HZ2' HD23 ' A' ' 131' ' ' LEU . 0.4 OUTLIER -82.57 29.25 0.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 1.103 ' OG1' ' O ' ' A' ' 132' ' ' ASP . 35.0 p -160.34 34.33 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.351 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.646 ' C ' ' HD3' ' A' ' 139' ' ' PRO . . . -146.03 -63.11 0.32 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 1.233 ' CE2' HG22 ' A' ' 106' ' ' VAL . 0.8 OUTLIER -123.98 50.35 3.46 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.981 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.646 ' HD3' ' C ' ' A' ' 137' ' ' ALA . 18.3 Cg_endo -74.99 161.62 38.48 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.487 1.782 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . 0.793 ' HB2' ' CG ' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 168.26 -144.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . 0.596 ' O ' ' N ' ' A' ' 145' ' ' ASP . 6.9 m-20 -85.49 -147.35 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . 0.553 ' O ' ' CB ' ' A' ' 146' ' ' LYS . 0.1 OUTLIER -52.77 -35.22 56.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.995 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.11 -62.88 1.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.272 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . 0.793 ' CG ' ' HB2' ' A' ' 140' ' ' ARG . 0.9 OUTLIER -76.48 -52.99 8.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . 0.596 ' N ' ' O ' ' A' ' 141' ' ' ASP . 36.1 t0 -41.31 -54.03 3.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.553 ' CB ' ' O ' ' A' ' 142' ' ' MET . 14.9 ttpt -53.31 -29.87 35.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.75 ' HB3' ' O ' ' A' ' 144' ' ' ASN . . . -54.27 -56.38 18.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' MET . . . . . 0.639 ' HA ' ' HG2' ' A' ' 151' ' ' MET . 0.0 OUTLIER -52.05 -57.42 9.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 111.023 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.714 ' O ' HG22 ' A' ' 152' ' ' THR . 4.4 mp -52.26 -38.5 58.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 0.627 HD11 ' HG3' ' A' ' 97' ' ' MET . 0.3 OUTLIER -61.52 -27.83 42.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' MET . . . . . 0.864 ' HB2' ' CE2' ' A' ' 177' ' ' PHE . 2.8 mmm -60.81 -59.64 5.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.964 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' THR . . . . . 0.946 ' OG1' ' O ' ' A' ' 173' ' ' THR . 4.8 t -54.18 -44.28 71.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.412 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' MET . . . . . 0.415 ' SD ' HG22 ' A' ' 93' ' ' ILE . 24.3 mtm -64.0 -32.16 73.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.954 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 1.097 ' C ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -54.68 -54.36 42.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 1.114 HD21 ' CZ ' ' A' ' 113' ' ' PHE . 5.0 mp -49.51 -57.34 7.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 1.076 ' HA ' HG22 ' A' ' 170' ' ' VAL . . . -56.16 -50.65 70.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.47 -54.64 13.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . 0.717 ' O ' ' N ' ' A' ' 162' ' ' HIS . 0.9 OUTLIER -75.79 -58.31 3.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' VAL . . . . . 1.13 HG13 ' CB ' ' A' ' 163' ' ' ALA . 58.1 t -47.07 -46.22 8.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.132 . . . . 0.0 109.309 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.765 ' HB1' ' SG ' ' A' ' 30' ' ' CYS . . . -33.12 -51.85 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.09 -10.91 13.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.575 1.172 . . . . 0.0 110.002 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . 0.717 ' N ' ' O ' ' A' ' 158' ' ' LYS . 13.4 t-80 -87.39 -51.2 6.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.629 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 1.13 ' CB ' HG13 ' A' ' 159' ' ' VAL . . . -116.98 79.59 10.5 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 164' ' ' PRO . . . . . 0.407 ' HD3' ' C ' ' A' ' 162' ' ' HIS . 18.3 Cg_endo -74.99 0.56 8.75 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.553 1.817 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.4 -15.55 20.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.037 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.514 HD12 ' HB1' ' A' ' 163' ' ' ALA . 1.6 mt -115.15 34.92 4.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . 0.955 ' HB2' HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -47.4 -53.88 12.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . 0.904 ' H ' HD13 ' A' ' 167' ' ' LEU . 0.5 OUTLIER -54.6 -40.38 68.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.326 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . 0.594 ' O ' ' OG1' ' A' ' 173' ' ' THR . 0.9 OUTLIER -66.67 -37.74 85.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 170' ' ' VAL . . . . . 1.076 HG22 ' HA ' ' A' ' 156' ' ' ALA . 1.2 t -46.99 -60.43 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . 1.009 ' CE1' HD22 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -58.58 -49.06 78.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 110.966 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 172' ' ' HIS . . . . . 0.567 ' O ' ' CB ' ' A' ' 176' ' ' ASN . 18.6 t60 -52.84 -30.74 35.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.592 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 173' ' ' THR . . . . . 0.994 HG21 ' HB2' ' A' ' 155' ' ' LEU . 5.7 m -62.78 -68.9 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.421 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 174' ' ' THR . . . . . 0.905 ' O ' HD12 ' A' ' 178' ' ' ILE . 0.6 OUTLIER -44.27 -58.98 2.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.37 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 175' ' ' VAL . . . . . 1.135 HG21 ' HB ' ' A' ' 21' ' ' VAL . 2.8 t -74.47 8.83 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 176' ' ' ASN . . . . . 0.875 ' HB3' ' O ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -84.3 -55.93 3.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 177' ' ' PHE . . . . . 0.948 ' O ' ' N ' ' A' ' 181' ' ' ASN . 0.6 OUTLIER -60.61 -55.77 29.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 111.01 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 178' ' ' ILE . . . . . 0.905 HD12 ' O ' ' A' ' 174' ' ' THR . 3.0 mt -45.85 -56.41 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 179' ' ' ASN . . . . . 0.611 ' OD1' ' O ' ' A' ' 176' ' ' ASN . 0.1 OUTLIER -59.28 -37.19 77.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.28 14.74 31.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.948 ' N ' ' O ' ' A' ' 177' ' ' PHE . 43.2 t30 -98.22 -140.63 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 182' ' ' LEU . . . . . 0.731 HD22 ' OD1' ' A' ' 181' ' ' ASN . 0.1 OUTLIER -94.0 30.73 1.79 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 183' ' ' PHE . . . . . 0.72 ' O ' ' CD2' ' A' ' 183' ' ' PHE . 0.1 OUTLIER 31.45 99.35 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.157 . . . . 0.0 111.025 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 184' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' A' ' 183' ' ' PHE . 0.1 OUTLIER 80.11 64.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.984 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 185' ' ' TYR . . . . . 0.63 ' C ' ' CD1' ' A' ' 185' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 111.04 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.618 ' CG2' ' CE2' ' A' ' 183' ' ' PHE . 4.5 tp . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.859 HG21 ' N ' ' A' ' 179' ' ' ASN . 4.0 m -54.74 -49.71 70.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.428 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -48.75 -40.88 30.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.543 HD12 ' CD2' ' A' ' 84' ' ' HIS . 2.5 mm? -62.81 -32.03 73.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.068 ' CD2' HD22 ' A' ' 90' ' ' LEU . 0.7 OUTLIER -64.34 -40.04 95.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 1.115 HG13 ' CD2' ' A' ' 171' ' ' PHE . 0.5 OUTLIER -61.74 -64.5 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.727 ' H ' HG12 ' A' ' 21' ' ' VAL . 1.1 t80 -62.01 -31.6 71.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -73.57 -37.57 52.56 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 1.213 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 0.6 OUTLIER -56.86 -55.29 36.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 111.012 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.875 HD22 ' CE1' ' A' ' 171' ' ' PHE . 2.2 tp -56.19 -45.2 79.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.856 HE22 HH21 ' A' ' 88' ' ' ARG . 1.4 tm0? -58.23 -31.85 67.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.652 ' HB3' ' HB3' ' A' ' 91' ' ' ALA . 18.7 t -59.17 -84.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.976 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 t -141.92 37.6 1.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.446 ' HA3' ' HA ' ' A' ' 25' ' ' LEU . . . -83.71 -123.77 0.99 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.476 1.11 . . . . 0.0 110.966 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.511 ' HB3' ' CB ' ' A' ' 34' ' ' GLU . 14.1 t -89.46 -96.65 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.549 ' O ' ' CD2' ' A' ' 35' ' ' LEU . 87.0 m -145.51 169.77 17.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.417 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.717 ' HA ' HD11 ' A' ' 35' ' ' LEU . 2.2 ttt180 -51.75 -48.33 63.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.754 ' O ' HG23 ' A' ' 37' ' ' VAL . 18.2 tt0 -57.25 -29.84 64.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.513 ' HB2' ' H ' ' A' ' 31' ' ' THR . 0.1 OUTLIER -70.61 -57.29 4.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.329 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.783 ' N ' HD23 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -49.63 -32.13 12.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -64.47 -47.89 77.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.309 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 33' ' ' GLN . 2.0 t -63.98 -57.98 9.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.982 HD21 ' HG ' ' A' ' 167' ' ' LEU . 7.5 mt -63.82 -47.36 81.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.674 ' HA3' ' CD2' ' A' ' 22' ' ' PHE . . . -51.56 -45.19 54.18 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.491 1.119 . . . . 0.0 110.967 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.2 ttt85 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.463 0.743 . . . . 0.0 110.275 179.999 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.551 ' O ' HD13 ' A' ' 82' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.501 HD12 HG12 ' A' ' 16' ' ' ILE . 5.1 pt -53.44 -47.77 58.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.568 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 59.6 m80 -60.37 -31.95 70.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.561 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -59.17 -52.14 66.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.306 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.475 ' CG1' ' O ' ' A' ' 83' ' ' ILE . 4.0 pt -61.47 -31.91 51.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.001 ' HA ' HD23 ' A' ' 20' ' ' LEU . . . -55.34 -50.42 69.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.856 HH21 HE22 ' A' ' 26' ' ' GLN . 1.0 OUTLIER -65.95 -52.58 48.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 110.329 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.769 ' CE1' HD11 ' A' ' 93' ' ' ILE . 33.5 t-80 -51.8 -18.57 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.56 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 1.068 HD22 ' CD2' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -59.07 -64.18 1.03 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 1.213 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -54.44 -58.06 8.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.429 ' HB2' ' OG ' ' A' ' 27' ' ' SER . 1.0 OUTLIER -49.38 -31.28 9.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 110.306 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.97 HG23 ' SD ' ' A' ' 97' ' ' MET . 2.2 mm -70.86 -32.63 49.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.43 ' HA2' ' SD ' ' A' ' 153' ' ' MET . . . -60.16 -53.04 49.02 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.465 1.103 . . . . 0.0 110.979 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.476 ' N ' ' HD2' ' A' ' 157' ' ' LYS . 10.1 t70 -63.09 -52.76 61.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 0.759 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.63 -39.95 81.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.97 ' SD ' HG23 ' A' ' 93' ' ' ILE . 0.0 OUTLIER -51.29 -51.04 57.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.434 ' OD2' ' O ' ' A' ' 95' ' ' ASP . 0.0 OUTLIER -39.21 -30.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.447 ' N ' ' C ' ' A' ' 97' ' ' MET . 19.8 t-160 -55.58 -48.8 74.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.617 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' A' ' 97' ' ' MET . 0.7 OUTLIER -145.31 88.02 1.84 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.677 HG22 ' O ' ' A' ' 101' ' ' ILE . 0.5 OUTLIER -147.67 95.35 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.93 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 0.0 OUTLIER 159.35 49.82 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.287 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.93 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.3 Cg_endo -75.0 -18.95 18.3 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.519 1.799 . . . . 0.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.691 ' O ' ' CB ' ' A' ' 105' ' ' LEU . 1.8 p -150.04 2.75 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.39 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.691 ' CB ' ' O ' ' A' ' 104' ' ' THR . 4.6 mt 104.48 40.86 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.825 ' O ' ' HE3' ' A' ' 151' ' ' MET . 0.0 OUTLIER -50.16 -88.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.927 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.815 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 18.7 ttp180 -48.26 -22.02 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.494 ' CB ' ' HB3' ' A' ' 105' ' ' LEU . 0.7 OUTLIER -65.99 -51.21 60.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 1.226 HD12 ' N ' ' A' ' 110' ' ' ALA . 0.4 OUTLIER -67.93 -62.68 1.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 1.226 ' N ' HD12 ' A' ' 109' ' ' LEU . . . -48.07 -23.97 0.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.815 ' HB2' ' O ' ' A' ' 107' ' ' ARG . . . -72.67 -46.39 54.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 1.219 ' HG3' ' O ' ' A' ' 109' ' ' LEU . 0.6 OUTLIER -52.78 -42.78 65.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.277 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 1.238 ' CD2' ' HB2' ' A' ' 130' ' ' ALA . 0.1 OUTLIER -58.48 -42.6 87.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.893 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 111.035 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.729 HH21 ' HG2' ' A' ' 180' ' ' GLN . 9.0 ttt180 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.579 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 3.4 t-20 -65.62 -43.06 90.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.59 ' C ' ' CD1' ' A' ' 113' ' ' PHE . 0.1 OUTLIER -48.42 -60.36 2.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 108.334 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 1.051 HD13 ' HA ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -52.08 -62.19 1.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.617 ' O ' HD23 ' A' ' 131' ' ' LEU . . . -49.69 -35.42 21.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.579 ' HB2' ' O ' ' A' ' 125' ' ' ASN . 0.0 OUTLIER -60.71 -23.44 64.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 1.238 ' HB2' ' CD2' ' A' ' 113' ' ' PHE . . . -69.65 -53.49 18.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.652 ' O ' ' CB ' ' A' ' 135' ' ' LYS . 0.0 OUTLIER -45.64 -41.12 9.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.993 ' O ' HG23 ' A' ' 136' ' ' THR . 36.1 t0 -61.01 -53.68 54.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.902 ' CB ' HD13 ' A' ' 109' ' ' LEU . 1.0 OUTLIER -59.06 -60.28 4.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.999 HG12 ' O ' ' A' ' 130' ' ' ALA . 0.1 OUTLIER -55.32 -33.16 30.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.283 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.652 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 2.4 ttpt -77.95 -2.33 36.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.257 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.993 HG23 ' O ' ' A' ' 132' ' ' ASP . 19.2 p -113.01 -15.85 12.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.416 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.65 ' HB3' ' CE1' ' A' ' 138' ' ' PHE . . . -106.05 -50.37 3.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 1.121 ' CZ ' HD23 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -119.97 60.47 6.77 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 0.0 110.995 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.699 ' C ' ' HB2' ' A' ' 144' ' ' ASN . 18.4 Cg_endo -74.97 146.23 32.53 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.523 1.802 . . . . 0.0 111.019 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . 0.75 ' N ' ' CB ' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 161.63 -163.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 0.0 110.318 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . 0.714 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 6.7 m-20 -92.94 -104.28 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . 0.603 ' HA ' ' CE2' ' A' ' 185' ' ' TYR . 0.1 OUTLIER -59.77 -31.86 70.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.108 . . . . 0.0 111.001 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . 0.436 ' O ' ' HB2' ' A' ' 147' ' ' ALA . 2.5 mm-40 -69.41 -62.69 1.28 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . 0.75 ' CB ' ' N ' ' A' ' 140' ' ' ARG . 14.0 t30 -69.14 -59.62 2.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . 0.714 ' CB ' ' O ' ' A' ' 141' ' ' ASP . 11.9 t0 -38.85 -54.83 1.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.854 ' HB2' ' HZ2' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -67.01 -30.58 70.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.58 ' N ' ' O ' ' A' ' 144' ' ' ASN . . . -64.7 -61.97 1.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' MET . . . . . 0.648 ' HA ' HG21 ' A' ' 134' ' ' VAL . 13.1 ptp -53.19 -41.68 65.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.52 HD23 ' HE3' ' A' ' 146' ' ' LYS . 3.1 tp -61.04 -42.05 97.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 0.67 HD12 ' O ' ' A' ' 146' ' ' LYS . 0.3 OUTLIER -53.45 -28.57 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' MET . . . . . 1.0 ' HA ' HD23 ' A' ' 154' ' ' LEU . 3.1 mmm -62.84 -52.2 64.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' THR . . . . . 0.931 HG23 ' HA ' ' A' ' 174' ' ' THR . 0.6 OUTLIER -45.67 -50.87 13.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.407 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' MET . . . . . 0.726 ' SD ' HG22 ' A' ' 93' ' ' ILE . 23.5 ptp -69.1 -20.75 64.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 1.0 HD23 ' HA ' ' A' ' 151' ' ' MET . 0.4 OUTLIER -59.71 -55.06 39.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 1.164 ' O ' HG23 ' A' ' 159' ' ' VAL . 0.0 OUTLIER -50.81 -62.8 1.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 0.843 ' HA ' HG22 ' A' ' 170' ' ' VAL . . . -52.11 -53.83 37.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.732 ' HA ' ' CB ' ' A' ' 161' ' ' SER . 11.7 mmtt -47.14 -50.05 21.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . 0.656 ' O ' ' N ' ' A' ' 163' ' ' ALA . 19.3 mmmt -75.16 -44.41 46.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' VAL . . . . . 1.164 HG23 ' O ' ' A' ' 155' ' ' LEU . 10.5 t -69.41 -130.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.67 ' CB ' HG21 ' A' ' 170' ' ' VAL . . . -26.69 -62.19 0.08 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . 0.732 ' CB ' ' HA ' ' A' ' 157' ' ' LYS . 0.3 OUTLIER -49.63 -12.56 0.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.993 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . 0.965 ' N ' ' O ' ' A' ' 159' ' ' VAL . 2.5 m-70 -152.64 -49.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.596 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 1.078 ' N ' ' O ' ' A' ' 159' ' ' VAL . . . -111.84 95.33 28.16 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 164' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 162' ' ' HIS . 18.2 Cg_endo -75.02 50.75 2.61 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.531 1.806 . . . . 0.0 111.019 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . 0.771 ' O ' HD12 ' A' ' 166' ' ' LEU . 30.6 t -99.42 -22.69 15.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 0.0 110.012 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.771 HD12 ' O ' ' A' ' 165' ' ' SER . 5.6 mp -131.91 85.02 2.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.378 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . 0.982 ' HG ' HD21 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -62.46 -85.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . 0.499 ' HG2' ' N ' ' A' ' 169' ' ' ASP . 0.0 OUTLIER -53.98 -36.14 62.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . 0.595 ' HB3' HD23 ' A' ' 166' ' ' LEU . 0.5 OUTLIER -61.38 -37.6 84.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 170' ' ' VAL . . . . . 0.843 HG22 ' HA ' ' A' ' 156' ' ' ALA . 1.2 t -54.96 -62.39 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . 1.115 ' CD2' HG13 ' A' ' 21' ' ' VAL . 0.7 OUTLIER -51.99 -44.41 64.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 111.055 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 172' ' ' HIS . . . . . 0.519 ' O ' ' CB ' ' A' ' 176' ' ' ASN . 46.5 t60 -61.05 -32.17 71.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.576 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 173' ' ' THR . . . . . 1.084 HG22 HD23 ' A' ' 155' ' ' LEU . 21.5 m -66.93 -48.36 68.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.434 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 174' ' ' THR . . . . . 0.931 ' HA ' HG23 ' A' ' 152' ' ' THR . 0.6 OUTLIER -65.5 -61.59 2.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.437 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 175' ' ' VAL . . . . . 1.108 HG21 ' HB ' ' A' ' 21' ' ' VAL . 2.1 t -65.77 1.51 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 176' ' ' ASN . . . . . 0.785 ' CG ' HD12 ' A' ' 127' ' ' LEU . 0.0 OUTLIER -74.43 -59.97 2.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 177' ' ' PHE . . . . . 0.863 ' CZ ' ' HB2' ' A' ' 151' ' ' MET . 2.9 m-85 -51.01 -50.15 59.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.122 . . . . 0.0 111.035 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 178' ' ' ILE . . . . . 0.904 HG23 ' O ' ' A' ' 182' ' ' LEU . 3.1 mp -64.84 -46.3 92.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.461 1.1 . . . . 0.0 109.271 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 179' ' ' ASN . . . . . 0.859 ' N ' HG21 ' A' ' 17' ' ' THR . 1.8 t-20 -56.14 -35.95 67.72 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 180' ' ' GLN . . . . . 0.729 ' HG2' HH21 ' A' ' 124' ' ' ARG . 7.5 mm100 -56.71 -101.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.257 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.633 ' C ' HD13 ' A' ' 182' ' ' LEU . 65.9 t30 -121.08 -2.12 9.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 182' ' ' LEU . . . . . 0.904 ' O ' HG23 ' A' ' 178' ' ' ILE . 0.0 OUTLIER -95.83 36.35 1.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 183' ' ' PHE . . . . . 0.618 ' CE2' ' CG2' ' A' ' 16' ' ' ILE . 4.1 t80 -33.16 -35.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 111.045 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 184' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 182' ' ' LEU . 1.2 m 163.77 105.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.041 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 185' ' ' TYR . . . . . 0.603 ' CE2' ' HA ' ' A' ' 142' ' ' MET . 25.1 t80 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 111.048 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.509 HD12 ' HA ' ' A' ' 16' ' ' ILE . 6.6 tp . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 1.059 HG23 HD11 ' A' ' 178' ' ' ILE . 0.8 OUTLIER -53.62 -64.47 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.397 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.496 ' N ' HG22 ' A' ' 17' ' ' THR . 27.4 m-20 -48.88 -36.71 17.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 23' ' ' GLY . 2.3 mm? -60.8 -30.7 70.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.157 ' CD2' HD22 ' A' ' 90' ' ' LEU . 0.6 OUTLIER -65.1 -43.9 90.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.975 ' HB ' HG21 ' A' ' 175' ' ' VAL . 0.4 OUTLIER -58.08 -63.19 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.764 ' CD2' ' HA3' ' A' ' 39' ' ' GLY . 1.2 t80 -64.45 -29.49 70.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.521 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -72.17 -38.16 59.33 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.446 1.091 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 1.262 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 1.3 t80 -55.69 -56.5 19.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 0.756 . . . . 0.0 110.997 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 1.055 HD22 ' CE1' ' A' ' 171' ' ' PHE . 6.2 tp -57.02 -47.33 81.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.543 ' HG3' ' N ' ' A' ' 27' ' ' SER . 0.3 OUTLIER -55.34 -29.68 58.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.292 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.551 ' CB ' ' O ' ' A' ' 88' ' ' ARG . 8.4 t -50.89 -66.32 0.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.998 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.4 m -103.26 -40.68 6.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.995 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.626 ' N ' ' O ' ' A' ' 25' ' ' LEU . . . 87.67 89.7 1.07 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.509 1.131 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.585 ' HB2' HD11 ' A' ' 25' ' ' LEU . 0.5 OUTLIER -71.55 -59.64 2.65 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.791 HG22 ' H ' ' A' ' 34' ' ' GLU . 0.9 OUTLIER -145.0 121.59 11.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.407 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.54 -58.93 2.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.803 ' O ' HG23 ' A' ' 37' ' ' VAL . 2.6 tt0 -57.76 -24.68 58.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 1.004 ' HB3' HD21 ' A' ' 25' ' ' LEU . 1.9 tt0 -69.17 -64.4 0.88 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.95 ' CA ' HD23 ' A' ' 25' ' ' LEU . 0.6 OUTLIER -43.87 -40.14 4.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.475 ' O ' ' O ' ' A' ' 40' ' ' ARG . 25.4 tt0 -71.96 -43.12 65.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.272 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.803 HG23 ' O ' ' A' ' 33' ' ' GLN . 45.9 t -70.01 -57.17 8.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 1.006 HD21 ' HB2' ' A' ' 167' ' ' LEU . 0.4 OUTLIER -66.64 -42.42 86.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.764 ' HA3' ' CD2' ' A' ' 22' ' ' PHE . . . -48.22 -55.0 10.98 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.475 ' O ' ' O ' ' A' ' 36' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.49 0.759 . . . . 0.0 110.358 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 43.8 mt . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 1.012 ' O ' HG22 ' A' ' 86' ' ' ILE . 23.8 pt -53.46 -50.03 51.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.63 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 63.1 m80 -61.99 -40.33 95.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.58 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -55.25 -50.53 69.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 1.012 HG22 ' O ' ' A' ' 83' ' ' ILE . 7.7 tp -58.8 -33.6 49.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.844 ' HA ' HD23 ' A' ' 20' ' ' LEU . . . -56.45 -52.91 62.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.551 ' O ' ' CB ' ' A' ' 27' ' ' SER . 2.2 mtp180 -65.79 -52.01 54.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.333 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.992 ' O ' HG23 ' A' ' 93' ' ' ILE . 13.3 t-80 -50.4 -19.73 0.92 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.112 . . . . 0.0 109.635 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 1.157 HD22 ' CD2' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -56.13 -64.66 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 1.262 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -57.85 -49.14 77.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.4 -47.15 37.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.992 HG23 ' O ' ' A' ' 89' ' ' HIS . 3.0 pt -68.94 -22.83 26.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.564 ' O ' ' HG2' ' A' ' 97' ' ' MET . . . -58.95 -54.77 35.25 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.441 1.088 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -64.26 -43.41 94.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.435 ' O ' ' CB ' ' A' ' 99' ' ' HIS . 0.5 OUTLIER -63.56 -39.18 93.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.303 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.677 ' HE2' HG21 ' A' ' 101' ' ' ILE . 2.4 ptm -51.84 -42.24 62.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 111.033 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.522 ' N ' ' HG2' ' A' ' 97' ' ' MET . 1.4 p-10 -52.4 -20.65 2.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.472 ' N ' ' OD1' ' A' ' 98' ' ' ASP . 21.8 t-80 -58.96 -53.69 55.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.614 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 23.3 p-10 -147.14 87.87 1.7 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 1.033 HD11 HD13 ' A' ' 150' ' ' ILE . 0.2 OUTLIER -139.79 97.3 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.973 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 0.9 OUTLIER 161.07 48.13 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.266 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.973 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.2 Cg_endo -75.0 -22.51 14.73 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.527 1.804 . . . . 0.0 111.02 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.811 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 10.9 p -146.85 1.47 0.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.417 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.811 ' HB2' ' O ' ' A' ' 104' ' ' THR . 0.0 OUTLIER 106.5 44.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 1.042 HG12 ' CE2' ' A' ' 138' ' ' PHE . 0.0 OUTLIER -54.96 -85.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.89 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 28.3 ttp85 -53.32 -14.2 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.305 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.511 ' CB ' ' HB3' ' A' ' 105' ' ' LEU . 0.1 OUTLIER -64.97 -58.42 6.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 110.298 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 1.263 ' O ' ' CG ' ' A' ' 112' ' ' GLN . 3.3 pp -66.78 -54.77 19.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 1.152 ' N ' HD12 ' A' ' 109' ' ' LEU . . . -54.12 -20.52 6.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.247 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.89 ' HB2' ' O ' ' A' ' 107' ' ' ARG . . . -76.47 -41.26 47.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 1.263 ' CG ' ' O ' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -46.18 -58.78 3.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.354 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 1.197 ' CD2' ' HB2' ' A' ' 130' ' ' ALA . 0.7 OUTLIER -63.16 -40.04 96.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.668 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 11.4 tmm? . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.996 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.901 ' HB2' HD11 ' A' ' 127' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.604 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 29.2 t-20 -67.34 -41.23 85.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.639 ' O ' ' CG ' ' A' ' 113' ' ' PHE . 32.1 p -53.87 -55.74 24.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 108.301 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 1.039 HD13 ' HB2' ' A' ' 176' ' ' ASN . 0.0 OUTLIER -52.82 -72.53 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.565 ' O ' HD23 ' A' ' 131' ' ' LEU . . . -47.87 -26.78 1.81 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.616 ' HB2' ' O ' ' A' ' 126' ' ' CYS . 0.2 OUTLIER -59.73 -31.6 69.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.138 . . . . 0.0 109.319 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 1.197 ' HB2' ' CD2' ' A' ' 113' ' ' PHE . . . -72.38 -46.74 54.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.67 HD12 ' OD1' ' A' ' 181' ' ' ASN . 0.0 OUTLIER -40.28 -46.73 2.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.728 ' O ' ' HB ' ' A' ' 136' ' ' THR . 1.1 t70 -66.72 -51.31 57.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 109.267 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.692 ' O ' HG22 ' A' ' 136' ' ' THR . 0.3 OUTLIER -53.78 -62.92 1.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.266 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 1.037 HG23 ' CD2' ' A' ' 138' ' ' PHE . 0.1 OUTLIER -55.66 -38.67 51.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.568 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 0.6 OUTLIER -78.56 8.83 4.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.728 ' HB ' ' O ' ' A' ' 132' ' ' ASP . 0.6 OUTLIER -116.51 -18.59 10.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.396 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.795 ' HB3' ' CE1' ' A' ' 138' ' ' PHE . . . -109.48 -50.59 2.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 1.042 ' CE2' HG12 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -118.44 55.93 2.5 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 111.053 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.799 ' C ' ' HB2' ' A' ' 144' ' ' ASN . 18.4 Cg_endo -74.99 163.78 34.68 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.489 1.784 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . 0.747 ' N ' ' CB ' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 156.87 -170.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.28 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . 0.641 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 40.9 m-20 -85.4 -103.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . 0.429 ' HA ' ' CZ ' ' A' ' 185' ' ' TYR . 21.5 mtp -67.45 -32.12 72.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.55 -61.78 1.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.331 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . 0.799 ' HB2' ' C ' ' A' ' 139' ' ' PRO . 1.3 t30 -66.33 -54.68 21.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . 0.641 ' CB ' ' O ' ' A' ' 141' ' ' ASP . 31.0 m-20 -38.62 -54.29 1.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.095 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.78 -34.28 77.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.909 ' O ' HG22 ' A' ' 150' ' ' ILE . . . -60.15 -58.28 9.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' MET . . . . . 0.633 ' O ' ' HG3' ' A' ' 151' ' ' MET . 4.2 mtm -48.56 -53.1 19.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 111.019 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 1.034 HD21 HD21 ' A' ' 90' ' ' LEU . 0.2 OUTLIER -55.15 -43.38 74.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 1.033 HD13 HD11 ' A' ' 101' ' ' ILE . 1.6 tt -48.78 -31.05 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' MET . . . . . 1.059 ' O ' ' CD2' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -65.02 -56.51 12.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' THR . . . . . 0.939 HG21 ' HB2' ' A' ' 177' ' ' PHE . 65.6 p -41.47 -51.55 3.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.357 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' MET . . . . . 0.685 ' HE1' HD11 ' A' ' 93' ' ' ILE . 14.5 ptp -66.71 -26.58 67.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.992 ' C ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -61.4 -51.68 67.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 1.119 ' CB ' HG21 ' A' ' 173' ' ' THR . 0.0 OUTLIER -51.75 -52.29 49.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 1.018 ' HA ' HG22 ' A' ' 170' ' ' VAL . . . -60.82 -54.57 43.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.449 ' HB2' ' O ' ' A' ' 153' ' ' MET . 0.0 OUTLIER -45.03 -51.57 9.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . 0.86 ' O ' ' N ' ' A' ' 162' ' ' HIS . 29.4 mmmt -74.74 -54.29 7.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' VAL . . . . . 1.021 HG13 ' HB3' ' A' ' 163' ' ' ALA . 42.2 t -51.97 -56.85 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.352 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.703 ' N ' ' O ' ' A' ' 156' ' ' ALA . . . -33.58 -35.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.353 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' ' 159' ' ' VAL . 0.4 OUTLIER -117.97 -13.25 10.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.014 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . 0.86 ' N ' ' O ' ' A' ' 158' ' ' LYS . 2.7 t60 -95.06 -52.21 4.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.605 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 1.021 ' HB3' HG13 ' A' ' 159' ' ' VAL . . . -124.95 69.06 57.13 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 164' ' ' PRO . . . . . 0.475 ' HD3' ' C ' ' A' ' 162' ' ' HIS . 18.2 Cg_endo -75.03 3.68 5.42 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.456 1.766 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 89.9 p -95.64 3.07 54.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.019 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.484 HD13 ' HB2' ' A' ' 169' ' ' ASP . 0.6 OUTLIER -141.8 52.26 1.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . 1.006 ' HB2' HD21 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -52.11 -26.67 11.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . 0.69 ' H ' HD12 ' A' ' 167' ' ' LEU . 0.0 OUTLIER -62.67 -55.83 23.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . 0.705 ' O ' ' OG1' ' A' ' 173' ' ' THR . 1.4 t70 -56.29 -36.57 68.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 170' ' ' VAL . . . . . 1.018 HG22 ' HA ' ' A' ' 156' ' ' ALA . 0.9 OUTLIER -50.29 -63.96 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . 1.055 ' CE1' HD22 ' A' ' 25' ' ' LEU . 1.0 OUTLIER -56.6 -46.54 80.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 172' ' ' HIS . . . . . 0.556 ' O ' ' CB ' ' A' ' 176' ' ' ASN . 1.8 t60 -51.66 -42.83 62.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.604 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 173' ' ' THR . . . . . 1.119 HG21 ' CB ' ' A' ' 155' ' ' LEU . 1.3 m -53.91 -52.06 61.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.388 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 174' ' ' THR . . . . . 0.695 ' HA ' ' HB ' ' A' ' 152' ' ' THR . 13.5 p -56.31 -66.27 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.367 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 175' ' ' VAL . . . . . 1.04 ' HA ' HD12 ' A' ' 178' ' ' ILE . 4.0 t -74.94 14.84 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 176' ' ' ASN . . . . . 1.039 ' HB2' HD13 ' A' ' 127' ' ' LEU . 0.0 OUTLIER -78.65 -56.7 4.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 177' ' ' PHE . . . . . 1.051 ' O ' ' N ' ' A' ' 181' ' ' ASN . 8.3 m-30 -69.09 -62.49 1.36 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 178' ' ' ILE . . . . . 1.112 HD13 ' N ' ' A' ' 179' ' ' ASN . 0.0 OUTLIER -48.61 -25.79 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.14 . . . . 0.0 109.327 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 179' ' ' ASN . . . . . 1.112 ' N ' HD13 ' A' ' 178' ' ' ILE . 0.7 OUTLIER -65.73 -55.95 14.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -111.49 -10.26 14.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 1.051 ' N ' ' O ' ' A' ' 177' ' ' PHE . 60.9 t30 -97.76 -85.16 0.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 182' ' ' LEU . . . . . 0.672 HD23 ' HB2' ' A' ' 149' ' ' LEU . 0.2 OUTLIER -87.37 66.8 9.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 183' ' ' PHE . . . . . 0.473 ' HA ' ' O ' ' A' ' 178' ' ' ILE . 7.6 t80 -51.42 -16.55 0.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 111.035 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 173.43 39.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.017 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 185' ' ' TYR . . . . . 0.558 ' O ' ' CD1' ' A' ' 185' ' ' TYR . 1.5 t80 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.962 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.588 ' HB ' ' CE2' ' A' ' 183' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 1.068 HG22 HG13 ' A' ' 175' ' ' VAL . 89.4 m -53.88 -58.27 7.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.416 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -47.76 -36.82 12.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.58 ' HG ' ' CD2' ' A' ' 84' ' ' HIS . 1.1 mm? -62.22 -32.47 73.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.088 HD21 HD22 ' A' ' 90' ' ' LEU . 1.5 tm? -63.47 -40.4 97.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 1.021 HG13 ' CD2' ' A' ' 171' ' ' PHE . 0.5 OUTLIER -62.01 -64.83 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.254 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.747 ' CD2' ' CA ' ' A' ' 39' ' ' GLY . 0.4 OUTLIER -63.03 -30.56 71.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 111.046 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -72.28 -40.19 55.97 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.522 1.139 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 1.23 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 1.4 t80 -55.05 -58.15 8.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 0.756 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 1.132 HD22 ' CE1' ' A' ' 171' ' ' PHE . 5.6 tp -55.15 -43.56 74.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? -58.89 -31.73 68.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.519 ' CB ' ' O ' ' A' ' 88' ' ' ARG . 1.5 t -47.02 -66.07 0.47 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.153 . . . . 0.0 109.962 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.38 -43.9 5.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.147 . . . . 0.0 109.935 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.571 ' N ' ' O ' ' A' ' 25' ' ' LEU . . . 94.65 85.07 1.65 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.661 ' CB ' HD11 ' A' ' 25' ' ' LEU . 3.4 t -66.84 -61.03 2.16 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.865 HG22 ' H ' ' A' ' 34' ' ' GLU . 1.0 OUTLIER -144.1 123.77 13.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.428 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.7 ttt-85 -45.1 -52.58 8.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.281 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -64.03 -26.51 68.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.349 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.881 ' CG ' HD23 ' A' ' 38' ' ' LEU . 44.5 tt0 -68.63 -63.31 1.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.328 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.926 ' CA ' HD23 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -47.29 -36.69 9.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.537 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 5.3 tt0 -70.51 -55.07 9.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.76 HG13 HD23 ' A' ' 167' ' ' LEU . 3.4 p -66.2 -52.39 48.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 1.171 ' HB3' ' CD2' ' A' ' 171' ' ' PHE . 0.1 OUTLIER -65.86 -47.0 76.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.254 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.747 ' CA ' ' CD2' ' A' ' 22' ' ' PHE . . . -62.53 -53.13 43.92 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.537 ' CB ' ' O ' ' A' ' 36' ' ' GLU . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.474 0.749 . . . . 0.0 110.271 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.7 mt . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.642 ' O ' HG22 ' A' ' 86' ' ' ILE . 3.4 mt -53.7 -50.38 51.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.678 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 46.5 m80 -61.25 -43.87 98.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.585 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.471 ' O ' ' CG ' ' A' ' 88' ' ' ARG . 0.3 OUTLIER -53.28 -48.77 68.03 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.642 HG22 ' O ' ' A' ' 83' ' ' ILE . 1.4 tp -62.41 -31.12 50.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.743 ' HB1' ' HA ' ' A' ' 20' ' ' LEU . . . -54.9 -57.82 10.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.519 ' O ' ' CB ' ' A' ' 27' ' ' SER . 1.7 ptt85 -63.06 -39.26 94.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.252 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 1.043 ' O ' HG23 ' A' ' 93' ' ' ILE . 47.4 t-80 -50.98 -26.49 6.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.606 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 1.088 HD22 HD21 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -52.44 -66.26 0.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 109.257 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 1.23 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -50.81 -45.52 59.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.647 ' HG3' ' N ' ' A' ' 93' ' ' ILE . 0.1 OUTLIER -51.19 -35.43 36.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 1.043 HG23 ' O ' ' A' ' 89' ' ' HIS . 0.5 OUTLIER -70.09 -30.28 43.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.586 ' HA2' ' HE2' ' A' ' 153' ' ' MET . . . -57.83 -51.41 58.29 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.49 1.119 . . . . 0.0 110.973 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -63.17 -51.46 66.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 0.758 . . . . 0.0 109.256 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.427 ' O ' ' CB ' ' A' ' 99' ' ' HIS . 2.4 mt-10 -62.71 -42.72 99.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.264 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.786 ' HG2' HD12 ' A' ' 93' ' ' ILE . 0.0 OUTLIER -51.99 -55.45 20.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.989 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 97' ' ' MET . 11.7 t0 -38.57 -30.65 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.466 ' N ' ' C ' ' A' ' 97' ' ' MET . 17.5 t-80 -55.03 -52.97 61.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.575 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 97' ' ' MET . 22.2 p-10 -149.65 88.73 1.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.707 HG22 ' O ' ' A' ' 101' ' ' ILE . 0.3 OUTLIER -134.8 92.33 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.239 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.885 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 0.0 OUTLIER 154.05 52.19 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.885 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.3 Cg_endo -75.03 34.5 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.51 1.795 . . . . 0.0 110.989 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.928 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 1.0 OUTLIER 149.08 2.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.381 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.928 ' HB2' ' O ' ' A' ' 104' ' ' THR . 0.1 OUTLIER 103.67 38.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 1.045 HG22 ' CD2' ' A' ' 138' ' ' PHE . 1.3 t -61.52 -80.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.871 ' N ' HG12 ' A' ' 106' ' ' VAL . 9.4 ptt85 -52.59 -19.61 2.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.313 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.711 ' HB3' HD23 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -66.35 -41.62 89.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 1.278 HD12 ' N ' ' A' ' 110' ' ' ALA . 0.2 OUTLIER -60.84 -61.18 2.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.152 . . . . 0.0 109.3 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 1.278 ' N ' HD12 ' A' ' 109' ' ' LEU . . . -48.77 -54.28 15.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.595 ' HB2' HD13 ' A' ' 154' ' ' LEU . . . -62.25 -17.13 57.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.244 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.839 ' CG ' ' O ' ' A' ' 109' ' ' LEU . 2.1 pt20 -60.45 -45.7 92.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 110.241 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 1.179 ' CD2' ' O ' ' A' ' 110' ' ' ALA . 2.8 p90 -63.27 -41.95 99.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.876 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 1.9 ttp . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.113 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.459 ' HD3' ' NE2' ' A' ' 172' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.561 ' O ' ' CB ' ' A' ' 129' ' ' LYS . 1.9 t-20 -61.89 -37.87 86.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.592 ' HB3' ' CD1' ' A' ' 113' ' ' PHE . 0.1 OUTLIER -51.97 -53.77 37.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 108.287 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.807 HD22 ' CD2' ' A' ' 155' ' ' LEU . 0.1 OUTLIER -60.94 -69.71 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.443 ' HA ' HD23 ' A' ' 131' ' ' LEU . . . -44.58 -32.84 1.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.561 ' CB ' ' O ' ' A' ' 125' ' ' ASN . 0.3 OUTLIER -61.93 -27.95 69.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 1.11 ' O ' HG12 ' A' ' 134' ' ' VAL . . . -69.46 -49.46 54.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.89 HD13 HD21 ' A' ' 182' ' ' LEU . 0.4 OUTLIER -44.75 -43.43 8.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.588 ' O ' ' HB ' ' A' ' 136' ' ' THR . 0.1 OUTLIER -63.36 -53.47 52.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.658 ' O ' HG22 ' A' ' 136' ' ' THR . 7.2 mm-40 -56.95 -61.73 2.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 110.318 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 1.11 HG12 ' O ' ' A' ' 130' ' ' ALA . 0.3 OUTLIER -53.1 -37.13 26.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.142 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.561 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 0.1 OUTLIER -78.63 4.67 12.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.658 HG22 ' O ' ' A' ' 133' ' ' GLU . 0.6 OUTLIER -117.18 -20.44 9.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.406 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.842 ' HB3' ' CE1' ' A' ' 138' ' ' PHE . . . -99.92 -52.48 3.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 1.168 ' CZ ' HD23 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -116.26 60.79 2.04 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.707 ' HD3' ' C ' ' A' ' 137' ' ' ALA . 18.3 Cg_endo -75.02 149.86 37.24 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.498 1.788 . . . . 0.0 111.003 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . 0.787 ' N ' ' CB ' ' A' ' 144' ' ' ASN . 1.5 mtt85 164.51 -166.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 110.318 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . 0.666 ' O ' ' CG ' ' A' ' 145' ' ' ASP . 31.8 m-20 -87.22 -110.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . 0.488 ' O ' ' HB2' ' A' ' 146' ' ' LYS . 0.3 OUTLIER -61.78 -31.97 72.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 111.011 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.14 -61.27 2.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.268 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . 0.787 ' CB ' ' N ' ' A' ' 140' ' ' ARG . 1.9 t-20 -69.82 -56.89 5.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . 0.717 ' HA ' ' CE2' ' A' ' 185' ' ' TYR . 26.4 m-20 -37.7 -57.81 0.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 142' ' ' MET . 0.0 OUTLIER -65.08 -28.38 69.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.888 ' HA ' HD12 ' A' ' 150' ' ' ILE . . . -60.44 -58.67 7.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.24 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' MET . . . . . 0.783 ' HG3' ' N ' ' A' ' 149' ' ' LEU . 0.1 OUTLIER -52.84 -43.55 66.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.895 HD22 HD11 ' A' ' 90' ' ' LEU . 3.8 mt -57.02 -40.82 77.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 0.888 HD12 ' HA ' ' A' ' 147' ' ' ALA . 14.3 mt -56.71 -28.42 27.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' MET . . . . . 1.098 ' O ' ' HG ' ' A' ' 154' ' ' LEU . 3.7 mmm -62.47 -58.0 9.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' THR . . . . . 0.868 ' OG1' ' O ' ' A' ' 173' ' ' THR . 5.3 t -51.94 -41.45 62.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.398 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' MET . . . . . 0.818 ' CE ' HG23 ' A' ' 150' ' ' ILE . 6.3 tmm? -68.81 -28.25 66.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 111.018 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 1.098 ' HG ' ' O ' ' A' ' 151' ' ' MET . 2.2 pp -53.46 -55.58 24.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 1.241 ' O ' HG23 ' A' ' 159' ' ' VAL . 4.7 mp -50.5 -60.27 3.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 0.737 ' HA ' HG22 ' A' ' 170' ' ' VAL . . . -56.31 -54.68 42.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.788 ' HA ' ' CB ' ' A' ' 161' ' ' SER . 1.0 OUTLIER -44.76 -43.94 8.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . 0.716 ' O ' ' N ' ' A' ' 163' ' ' ALA . 0.4 OUTLIER -79.08 -39.59 33.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 159' ' ' VAL . . . . . 1.241 HG23 ' O ' ' A' ' 155' ' ' LEU . 19.6 t -71.5 -126.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.637 ' H ' HG12 ' A' ' 159' ' ' VAL . . . -31.48 -55.97 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . 0.788 ' CB ' ' HA ' ' A' ' 157' ' ' LYS . 0.6 OUTLIER -55.95 -11.44 1.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 110.009 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . 0.909 ' N ' ' O ' ' A' ' 159' ' ' VAL . 0.0 OUTLIER -152.83 -51.81 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.624 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 1.09 ' N ' ' O ' ' A' ' 159' ' ' VAL . . . -114.99 87.98 16.27 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.355 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 164' ' ' PRO . . . . . 0.456 ' HA ' ' HA ' ' A' ' 160' ' ' ALA . 18.3 Cg_endo -75.02 63.38 6.01 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.508 1.794 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . 0.418 ' C ' HD12 ' A' ' 166' ' ' LEU . 17.4 t -125.3 0.47 7.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.008 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.598 ' O ' ' N ' ' A' ' 170' ' ' VAL . 3.8 mp -143.69 58.34 1.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . 1.007 HD13 ' H ' ' A' ' 168' ' ' ARG . 0.0 OUTLIER -54.86 -51.88 64.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . 1.007 ' H ' HD13 ' A' ' 167' ' ' LEU . 0.4 OUTLIER -58.48 -50.28 74.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . 0.674 ' O ' ' OG1' ' A' ' 173' ' ' THR . 0.8 OUTLIER -66.47 -34.29 77.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 109.289 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 170' ' ' VAL . . . . . 0.748 HG12 ' N ' ' A' ' 171' ' ' PHE . 1.0 OUTLIER -49.94 -68.51 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . 1.171 ' CD2' ' HB3' ' A' ' 38' ' ' LEU . 1.6 m-85 -59.87 -49.59 77.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 172' ' ' HIS . . . . . 0.459 ' NE2' ' HD3' ' A' ' 124' ' ' ARG . 42.1 t60 -50.4 -33.68 21.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.553 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 173' ' ' THR . . . . . 1.037 HG21 ' HB2' ' A' ' 155' ' ' LEU . 89.0 m -66.18 -61.02 2.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.382 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 174' ' ' THR . . . . . 0.752 ' HA ' HG23 ' A' ' 152' ' ' THR . 17.0 p -47.57 -59.74 3.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.438 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 175' ' ' VAL . . . . . 1.068 HG13 HG22 ' A' ' 17' ' ' THR . 3.0 t -76.74 12.6 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 176' ' ' ASN . . . . . 0.897 ' HB3' ' O ' ' A' ' 173' ' ' THR . 0.1 OUTLIER -80.22 -52.03 8.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 177' ' ' PHE . . . . . 0.746 ' CZ ' ' N ' ' A' ' 131' ' ' LEU . 1.8 m-30 -61.68 -52.61 63.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 178' ' ' ILE . . . . . 0.887 ' CG1' HG23 ' A' ' 17' ' ' THR . 0.0 OUTLIER -62.5 -43.01 97.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 179' ' ' ASN . . . . . 0.698 ' CA ' HG21 ' A' ' 17' ' ' THR . 1.3 t30 -54.98 -39.42 68.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 180' ' ' GLN . . . . . 0.462 ' O ' ' O ' ' A' ' 179' ' ' ASN . 20.4 tp60 -49.55 -103.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 110.317 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.548 ' C ' HD13 ' A' ' 182' ' ' LEU . 8.9 t30 -126.02 -4.04 6.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 182' ' ' LEU . . . . . 0.89 HD21 HD13 ' A' ' 131' ' ' LEU . 0.2 OUTLIER -97.03 39.97 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 183' ' ' PHE . . . . . 0.588 ' CE2' ' HB ' ' A' ' 16' ' ' ILE . 0.7 OUTLIER -28.99 -39.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 0.0 111.008 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 184' ' ' SER . . . . . 0.527 ' N ' ' O ' ' A' ' 182' ' ' LEU . 23.1 t -170.95 108.14 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.031 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 185' ' ' TYR . . . . . 0.717 ' CE2' ' HA ' ' A' ' 145' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.97 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.637 HG21 ' CG2' ' A' ' 83' ' ' ILE . 3.3 mm . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 1.124 HG23 HD11 ' A' ' 178' ' ' ILE . 28.6 m -54.97 -62.67 1.51 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.4 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.42 -37.45 37.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 1.1 mm? -59.44 -32.52 70.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.102 ' CD2' HD22 ' A' ' 90' ' ' LEU . 1.2 tm? -63.55 -45.63 89.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.979 ' HB ' HG21 ' A' ' 175' ' ' VAL . 0.4 OUTLIER -63.28 -61.38 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.962 ' O ' HD23 ' A' ' 35' ' ' LEU . 6.2 t80 -58.07 -36.14 72.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 111.022 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -75.93 -34.08 48.78 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.504 1.127 . . . . 0.0 111.031 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 1.172 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 2.0 t80 -53.83 -58.47 7.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 0.782 . . . . 0.0 111.031 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.803 HD22 ' CE1' ' A' ' 171' ' ' PHE . 0.4 OUTLIER -56.68 -44.05 81.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -53.75 -32.51 52.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.272 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.548 ' HB3' ' HB3' ' A' ' 91' ' ' ALA . 29.0 t -66.71 -96.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.983 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.2 t -140.86 17.56 2.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.987 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.537 ' HA3' ' CE1' ' A' ' 24' ' ' PHE . . . -55.25 -108.54 0.01 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.479 1.112 . . . . 0.0 111.049 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.401 ' SG ' ' CD ' ' A' ' 34' ' ' GLU . 43.1 t -86.84 -89.69 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.226 -1.028 . . . . 0.0 108.226 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 34' ' ' GLU . 0.4 OUTLIER -144.42 149.13 35.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.425 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -43.11 -58.74 2.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.306 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.432 ' O ' ' HB ' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -55.61 -25.58 39.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.735 ' C ' HD23 ' A' ' 25' ' ' LEU . 1.8 tp10 -65.7 -57.01 9.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 1.001 HD13 ' N ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -42.78 -39.95 2.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 1.001 ' N ' HD13 ' A' ' 35' ' ' LEU . 39.6 tt0 -80.65 -31.42 36.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.234 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.651 HG13 ' CD2' ' A' ' 167' ' ' LEU . 0.4 OUTLIER -65.68 -59.32 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 1.006 HD22 ' C ' ' A' ' 167' ' ' LEU . 37.6 mt -62.9 -46.08 89.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.09 . . . . 0.0 109.253 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.712 ' HA3' ' CE1' ' A' ' 22' ' ' PHE . . . -48.12 -42.33 23.76 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.489 1.118 . . . . 0.0 110.956 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.521 0.777 . . . . 0.0 110.341 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 8.7 mt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.637 ' CG2' HG21 ' A' ' 16' ' ' ILE . 32.3 mm -54.12 -57.87 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.555 ' CE1' ' CD1' ' A' ' 16' ' ' ILE . 89.5 m-70 -54.88 -37.69 66.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.604 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -53.31 -45.39 68.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.506 HG22 ' O ' ' A' ' 83' ' ' ILE . 1.3 tp -61.41 -42.61 94.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.249 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.936 ' HA ' HD23 ' A' ' 20' ' ' LEU . . . -54.17 -42.34 69.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.546 ' CG ' ' HB2' ' A' ' 27' ' ' SER . 20.4 ttt180 -64.84 -54.12 35.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.562 ' CE1' HD12 ' A' ' 93' ' ' ILE . 17.6 t60 -57.92 -15.31 8.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.561 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 1.102 HD22 ' CD2' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -61.67 -67.7 0.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 1.172 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -52.37 -48.94 65.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -50.47 -35.94 31.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.239 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 1.029 HG22 ' O ' ' A' ' 90' ' ' LEU . 0.1 OUTLIER -68.93 -29.73 44.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.498 ' HA2' ' CE ' ' A' ' 97' ' ' MET . . . -59.58 -55.39 30.82 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.463 1.102 . . . . 0.0 111.027 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.47 ' HA ' ' CE ' ' A' ' 157' ' ' LYS . 63.3 t0 -60.92 -43.19 98.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 0.752 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -39.06 92.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.632 ' CG ' ' N ' ' A' ' 98' ' ' ASP . 0.1 OUTLIER -51.02 -50.72 58.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.958 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.632 ' N ' ' CG ' ' A' ' 97' ' ' MET . 0.4 OUTLIER -38.23 -29.72 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.489 ' N ' ' O ' ' A' ' 97' ' ' MET . 66.2 t60 -42.83 -69.26 0.14 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.583 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -148.96 90.37 1.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 1.038 HG22 ' HB3' ' A' ' 107' ' ' ARG . 7.3 mm -131.64 89.93 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.577 1.173 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.788 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 0.0 OUTLIER 157.34 54.96 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.285 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.788 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.3 Cg_endo -75.03 -19.73 17.48 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.499 1.789 . . . . 0.0 111.015 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.704 ' O ' ' CB ' ' A' ' 105' ' ' LEU . 8.8 t -147.32 6.85 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 110.349 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.704 ' CB ' ' O ' ' A' ' 104' ' ' THR . 12.1 tp 106.55 29.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 1.081 HG22 ' CE2' ' A' ' 138' ' ' PHE . 1.0 OUTLIER -59.14 -72.14 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 1.038 ' HB3' HG22 ' A' ' 101' ' ' ILE . 0.0 OUTLIER -52.73 -37.31 59.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 110.316 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.55 ' CB ' ' CD1' ' A' ' 105' ' ' LEU . 4.0 mm-40 -64.53 -27.22 68.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.318 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 1.063 HD21 ' HB2' ' A' ' 133' ' ' GLU . 0.7 OUTLIER -64.24 -73.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 1.007 ' O ' ' CD2' ' A' ' 113' ' ' PHE . . . -54.78 -39.33 68.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 107' ' ' ARG . . . -63.37 -22.06 66.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.983 ' CD ' ' O ' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -57.32 -50.25 73.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 110.265 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 1.215 ' CD2' ' HB2' ' A' ' 130' ' ' ALA . 1.8 p90 -66.53 -42.75 86.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.157 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.778 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 8.9 tmm? . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.86 ' HA ' HD11 ' A' ' 127' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.413 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 3.8 t-20 -68.26 -39.42 82.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.448 ' CB ' ' CD1' ' A' ' 113' ' ' PHE . 3.1 m -54.74 -57.01 13.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 108.309 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 1.068 HD13 ' HA ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -53.37 -65.18 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.338 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.627 ' HB2' ' OD1' ' A' ' 176' ' ' ASN . . . -46.13 -39.32 9.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.526 ' O ' ' CD ' ' A' ' 133' ' ' GLU . 7.3 mttt -65.38 -23.71 67.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.347 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 1.215 ' HB2' ' CD2' ' A' ' 113' ' ' PHE . . . -71.22 -38.83 71.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.347 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.772 ' O ' ' HB3' ' A' ' 135' ' ' LYS . 0.0 OUTLIER -55.59 -41.97 74.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.572 ' N ' HD23 ' A' ' 131' ' ' LEU . 1.5 m-20 -61.67 -61.73 2.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 1.063 ' HB2' HD21 ' A' ' 109' ' ' LEU . 0.5 OUTLIER -52.8 -60.37 3.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.27 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 1.137 HG12 ' O ' ' A' ' 130' ' ' ALA . 11.5 p -55.04 -42.52 65.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.772 ' HB3' ' O ' ' A' ' 131' ' ' LEU . 0.2 OUTLIER -87.29 25.14 1.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.821 HG22 ' HA ' ' A' ' 133' ' ' GLU . 1.9 t -160.78 24.71 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.386 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.537 ' C ' ' HD3' ' A' ' 139' ' ' PRO . . . -134.09 -56.0 0.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 1.122 ' CE2' HG23 ' A' ' 134' ' ' VAL . 2.1 p90 -130.63 47.19 2.67 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.981 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.7 ' HD3' ' N ' ' A' ' 138' ' ' PHE . 18.2 Cg_endo -75.02 170.05 21.28 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.533 1.807 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . 0.782 ' HB2' ' CG ' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 175.6 -97.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.304 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . 0.584 ' O ' ' N ' ' A' ' 145' ' ' ASP . 1.1 m-20 -135.75 -145.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . 0.646 ' O ' ' CB ' ' A' ' 146' ' ' LYS . 1.7 tmt? -51.71 -31.47 26.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 111.035 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -67.91 -62.95 1.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . 0.782 ' CG ' ' HB2' ' A' ' 140' ' ' ARG . 1.0 OUTLIER -73.96 -57.7 3.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.274 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . 0.631 ' CG ' ' CE1' ' A' ' 185' ' ' TYR . 9.4 t0 -40.24 -54.83 2.29 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.646 ' CB ' ' O ' ' A' ' 142' ' ' MET . 0.6 OUTLIER -53.89 -28.87 39.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.807 ' O ' HG22 ' A' ' 150' ' ' ILE . . . -53.27 -52.24 59.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' MET . . . . . 0.661 ' HG2' HG13 ' A' ' 134' ' ' VAL . 1.4 mtp -53.37 -54.19 40.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.538 ' O ' ' SD ' ' A' ' 153' ' ' MET . 3.5 tp -57.99 -45.07 87.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 0.807 HG22 ' O ' ' A' ' 147' ' ' ALA . 0.7 OUTLIER -54.6 -29.07 20.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' MET . . . . . 0.975 ' HA ' HD23 ' A' ' 154' ' ' LEU . 1.9 mmt -58.51 -52.62 64.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 111.049 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' THR . . . . . 0.913 HG23 ' HA ' ' A' ' 174' ' ' THR . 0.5 OUTLIER -46.1 -47.2 17.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.394 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' MET . . . . . 0.611 ' O ' ' CB ' ' A' ' 157' ' ' LYS . 1.8 mpt? -71.13 -20.42 62.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.975 HD23 ' HA ' ' A' ' 151' ' ' MET . 0.5 OUTLIER -61.57 -52.72 63.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.362 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 1.083 HD23 HG22 ' A' ' 173' ' ' THR . 0.0 OUTLIER -54.04 -55.47 27.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 1.057 ' O ' ' O ' ' A' ' 159' ' ' VAL . . . -64.17 -52.74 57.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.611 ' CB ' ' O ' ' A' ' 153' ' ' MET . 39.3 tptt -45.43 -50.85 12.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . 0.894 ' O ' ' N ' ' A' ' 163' ' ' ALA . 51.6 mmtt -77.49 -52.21 9.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 159' ' ' VAL . . . . . 1.057 ' O ' ' O ' ' A' ' 156' ' ' ALA . 23.0 t -91.19 152.06 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 1.118 ' CB ' HG11 ' A' ' 170' ' ' VAL . . . 69.08 -49.46 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . 0.479 ' H ' ' C ' ' A' ' 159' ' ' VAL . 0.1 OUTLIER -91.35 -9.38 45.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.043 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . 0.578 ' CB ' ' O ' ' A' ' 158' ' ' LYS . 0.5 OUTLIER -152.62 -36.83 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.57 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 0.894 ' N ' ' O ' ' A' ' 158' ' ' LYS . . . -117.13 96.86 49.95 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 55.81 4.03 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.494 1.786 . . . . 0.0 111.026 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . 0.593 ' OG ' HD12 ' A' ' 166' ' ' LEU . 7.3 p -109.42 -14.48 14.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.96 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.831 HD13 HG11 ' A' ' 159' ' ' VAL . 3.5 mp -143.43 132.93 23.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . 1.006 ' C ' HD22 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -100.36 -91.22 0.31 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . 0.466 ' N ' HD22 ' A' ' 38' ' ' LEU . 18.6 ptt180 -56.63 -34.84 67.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.281 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.91 -45.78 93.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 170' ' ' VAL . . . . . 1.118 HG11 ' CB ' ' A' ' 160' ' ' ALA . 0.4 OUTLIER -56.25 -49.54 75.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . 1.0 ' CD2' ' HB2' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -62.2 -54.53 39.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 0.0 111.025 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 172' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -57.17 -22.62 41.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.656 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 173' ' ' THR . . . . . 1.083 HG22 HD23 ' A' ' 155' ' ' LEU . 4.5 m -66.31 -49.13 68.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.46 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 174' ' ' THR . . . . . 0.97 HG23 ' O ' ' A' ' 171' ' ' PHE . 0.6 OUTLIER -60.55 -52.07 66.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.392 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 175' ' ' VAL . . . . . 0.993 ' HA ' HD12 ' A' ' 178' ' ' ILE . 1.1 t -72.63 1.1 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 176' ' ' ASN . . . . . 0.831 ' HB3' ' O ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -78.03 -59.08 2.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 177' ' ' PHE . . . . . 0.788 ' CZ ' ' HB2' ' A' ' 151' ' ' MET . 1.0 OUTLIER -53.93 -56.71 15.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 111.012 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 178' ' ' ILE . . . . . 1.124 HD11 HG23 ' A' ' 17' ' ' THR . 0.0 OUTLIER -55.92 -38.87 54.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 179' ' ' ASN . . . . . 1.004 ' N ' HD13 ' A' ' 178' ' ' ILE . 7.1 t30 -67.12 -40.36 86.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 180' ' ' GLN . . . . . 0.592 ' HG3' ' HB1' ' A' ' 128' ' ' ALA . 12.9 mm100 -82.91 -10.43 58.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.31 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.517 ' N ' ' O ' ' A' ' 177' ' ' PHE . 5.1 t-20 -95.84 -152.18 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 182' ' ' LEU . . . . . 0.606 ' O ' ' N ' ' A' ' 184' ' ' SER . 0.0 OUTLIER -92.0 36.55 0.97 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.137 . . . . 0.0 109.296 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 183' ' ' PHE . . . . . 0.808 ' O ' ' CG ' ' A' ' 183' ' ' PHE . 5.8 t80 32.4 30.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 184' ' ' SER . . . . . 0.606 ' CB ' ' O ' ' A' ' 183' ' ' PHE . 1.1 m 150.91 90.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.995 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 185' ' ' TYR . . . . . 0.642 ' OH ' ' N ' ' A' ' 142' ' ' MET . 8.2 t80 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.58 1.175 . . . . 0.0 111.007 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.788 HG23 HD12 ' A' ' 83' ' ' ILE . 2.8 mm . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.974 HG22 HG13 ' A' ' 175' ' ' VAL . 6.7 m -54.2 -61.16 2.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 110.388 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -46.05 -35.75 5.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.3 OUTLIER -61.94 -33.22 73.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.009 HD21 HD22 ' A' ' 90' ' ' LEU . 0.4 OUTLIER -64.8 -42.6 94.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 109.269 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.983 ' HB ' HG21 ' A' ' 175' ' ' VAL . 0.5 OUTLIER -62.3 -65.19 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.861 ' CD2' ' HA3' ' A' ' 39' ' ' GLY . 2.7 t80 -62.56 -33.52 75.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -72.67 -37.29 57.82 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.542 1.151 . . . . 0.0 111.025 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 1.226 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 3.1 t80 -53.36 -57.45 10.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 0.77 . . . . 0.0 110.96 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 1.114 HD22 ' CE1' ' A' ' 171' ' ' PHE . 0.2 OUTLIER -57.91 -39.81 78.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.568 ' CB ' HD13 ' A' ' 35' ' ' LEU . 4.9 tt0 -55.31 -35.09 64.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.345 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.577 ' CB ' ' O ' ' A' ' 88' ' ' ARG . 1.9 t -66.2 -97.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 110.05 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.48 ' N ' ' OG ' ' A' ' 27' ' ' SER . 0.2 OUTLIER -139.46 19.98 2.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.495 ' HA3' ' CE1' ' A' ' 24' ' ' PHE . . . -55.68 -107.81 0.01 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.507 ' H ' HD12 ' A' ' 25' ' ' LEU . 49.1 t -89.32 -93.52 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 34' ' ' GLU . 5.3 p -144.63 152.38 40.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.37 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.564 ' O ' HD23 ' A' ' 35' ' ' LEU . 0.4 OUTLIER -42.0 -61.42 1.14 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.256 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.492 ' O ' ' HB ' ' A' ' 37' ' ' VAL . 2.6 tt0 -51.69 -25.81 8.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.138 . . . . 0.0 110.257 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.682 ' C ' HD23 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -68.09 -54.52 17.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.801 ' HG ' ' CE1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -42.96 -39.85 2.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.508 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 0.4 OUTLIER -82.82 -32.88 27.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.774 HG12 HD22 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -62.22 -57.71 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 1.08 ' CD2' ' HB2' ' A' ' 167' ' ' LEU . 0.3 OUTLIER -79.28 -38.74 34.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.861 ' HA3' ' CD2' ' A' ' 22' ' ' PHE . . . -47.45 -50.6 17.84 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.457 1.098 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.48 ' O ' ' O ' ' A' ' 36' ' ' GLU . 1.5 ttp180 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.485 0.756 . . . . 0.0 110.3 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.618 HG22 ' N ' ' A' ' 83' ' ' ILE . 37.0 mm . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.788 HD12 HG23 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -52.58 -39.11 28.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.695 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 71.1 m80 -61.46 -39.58 91.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 0.0 109.568 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.416 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 52.3 t30 -57.05 -51.61 68.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.477 ' CG1' ' O ' ' A' ' 83' ' ' ILE . 3.8 pt -61.45 -25.57 37.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.695 ' HB3' ' O ' ' A' ' 84' ' ' HIS . . . -61.51 -62.16 2.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.577 ' O ' ' CB ' ' A' ' 27' ' ' SER . 0.3 OUTLIER -63.69 -45.57 89.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.289 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 1.083 ' O ' HG23 ' A' ' 93' ' ' ILE . 23.3 t-80 -54.98 -23.16 17.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.568 1.167 . . . . 0.0 109.61 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 1.009 HD22 HD21 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -56.26 -63.42 1.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 1.226 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -52.72 -48.73 66.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -49.49 -46.87 48.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.361 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 1.083 HG23 ' O ' ' A' ' 89' ' ' HIS . 1.1 pt -68.03 -24.68 30.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.462 ' O ' ' HG3' ' A' ' 157' ' ' LYS . . . -61.52 -54.5 35.35 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.555 1.159 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -61.57 -45.94 92.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 0.731 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.82 -40.84 98.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.085 . . . . 0.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.46 ' O ' ' N ' ' A' ' 99' ' ' HIS . 0.3 OUTLIER -51.74 -46.63 64.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 110.963 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 97' ' ' MET . 43.4 t0 -38.79 -30.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.46 ' N ' ' O ' ' A' ' 97' ' ' MET . 50.3 m170 -44.2 -47.59 9.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.627 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -144.77 85.83 1.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.792 HG23 ' O ' ' A' ' 101' ' ' ILE . 0.3 OUTLIER -114.7 82.83 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.884 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 3.0 tt0 152.35 52.95 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.884 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.4 Cg_endo -75.02 11.51 1.43 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.511 1.795 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.834 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 0.9 OUTLIER 167.04 1.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.371 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.834 ' HB2' ' O ' ' A' ' 104' ' ' THR . 0.1 OUTLIER 106.01 29.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 1.207 HG22 ' CD2' ' A' ' 138' ' ' PHE . 1.0 OUTLIER -61.35 -74.67 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.277 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.845 ' N ' HG12 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -55.65 -17.12 5.05 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 110.337 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.782 ' CB ' HH21 ' A' ' 107' ' ' ARG . 0.8 OUTLIER -61.68 -48.13 82.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 110.318 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 1.25 HD12 ' N ' ' A' ' 110' ' ' ALA . 0.5 OUTLIER -64.09 -61.63 2.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 1.25 ' N ' HD12 ' A' ' 109' ' ' LEU . . . -49.97 -35.88 26.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 107' ' ' ARG . . . -69.29 -24.36 63.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.748 ' CG ' ' O ' ' A' ' 109' ' ' LEU . 4.4 pt20 -56.47 -50.97 70.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.275 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 1.182 ' CD2' ' HB2' ' A' ' 130' ' ' ALA . 1.5 p90 -67.77 -39.65 84.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.751 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 5.5 ttp . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 111.022 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.62 ' HA ' HD23 ' A' ' 127' ' ' LEU . 4.2 ttp-105 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.53 ' O ' ' N ' ' A' ' 129' ' ' LYS . 24.3 t30 -67.51 -43.19 81.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.567 ' O ' ' HB3' ' A' ' 129' ' ' LYS . 2.0 m -52.48 -58.93 5.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 108.348 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.823 HD13 ' N ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -59.22 -62.34 1.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.4 ' N ' ' OD1' ' A' ' 176' ' ' ASN . . . -48.5 -30.93 5.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.567 ' HB3' ' O ' ' A' ' 126' ' ' CYS . 3.6 tttt -60.77 -29.37 69.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 1.197 ' O ' HG12 ' A' ' 134' ' ' VAL . . . -73.5 -40.78 63.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 1.056 HD13 ' N ' ' A' ' 132' ' ' ASP . 0.0 OUTLIER -46.8 -47.98 20.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 1.056 ' N ' HD13 ' A' ' 131' ' ' LEU . 0.2 OUTLIER -62.06 -54.89 35.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.76 ' CB ' HD13 ' A' ' 109' ' ' LEU . 0.5 OUTLIER -51.57 -61.98 1.91 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 1.197 HG12 ' O ' ' A' ' 130' ' ' ALA . 1.4 p -57.59 -37.03 56.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 1.017 ' CE ' HG22 ' A' ' 134' ' ' VAL . 1.1 mmpt? -82.67 20.04 1.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.734 ' HB ' ' O ' ' A' ' 132' ' ' ASP . 0.6 OUTLIER -136.94 -10.06 1.78 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.38 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.693 ' C ' ' HD3' ' A' ' 139' ' ' PRO . . . -111.93 -50.18 2.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 1.207 ' CD2' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -117.16 61.53 2.88 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 110.98 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.693 ' HD3' ' C ' ' A' ' 137' ' ' ALA . 18.4 Cg_endo -74.96 145.69 31.9 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.447 1.762 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . 0.802 ' N ' ' CB ' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 176.44 -161.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.364 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . 0.686 ' O ' ' HB2' ' A' ' 145' ' ' ASP . 1.0 OUTLIER -93.85 -105.89 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.082 . . . . 0.0 109.29 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . 0.522 ' HA ' ' CZ ' ' A' ' 185' ' ' TYR . 7.7 tmm? -67.52 -34.87 77.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -65.49 -58.72 5.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 110.323 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . 0.802 ' CB ' ' N ' ' A' ' 140' ' ' ARG . 1.7 t30 -66.53 -60.5 2.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . 0.686 ' HB2' ' O ' ' A' ' 141' ' ' ASP . 31.9 m-20 -40.44 -52.04 2.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.549 ' O ' ' HG ' ' A' ' 149' ' ' LEU . 6.0 ttmt -66.58 -26.19 66.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.639 ' HB3' ' O ' ' A' ' 144' ' ' ASN . . . -63.53 -54.77 30.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' MET . . . . . 0.8 ' SD ' HD23 ' A' ' 131' ' ' LEU . 0.9 OUTLIER -55.49 -53.57 54.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 111.029 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.79 HD12 ' C ' ' A' ' 149' ' ' LEU . 0.5 OUTLIER -55.24 -40.52 70.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 0.766 ' N ' HD12 ' A' ' 149' ' ' LEU . 1.4 mt -55.63 -30.2 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 109.287 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' MET . . . . . 1.096 ' O ' ' CD2' ' A' ' 155' ' ' LEU . 6.1 mmm -62.79 -56.96 12.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' THR . . . . . 0.903 HG21 ' HB2' ' A' ' 177' ' ' PHE . 50.6 p -44.3 -52.1 7.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.372 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' MET . . . . . 0.677 ' HE1' HD11 ' A' ' 93' ' ' ILE . 10.0 ptp -67.46 -24.95 65.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 111.034 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.994 ' C ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -60.39 -51.62 68.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 1.096 ' CD2' ' O ' ' A' ' 151' ' ' MET . 0.0 OUTLIER -52.02 -46.45 65.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 1.112 ' O ' ' O ' ' A' ' 159' ' ' VAL . . . -66.09 -54.09 29.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.551 ' O ' ' HB2' ' A' ' 162' ' ' HIS . 0.0 OUTLIER -43.43 -46.02 6.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.269 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . 0.584 ' O ' ' N ' ' A' ' 163' ' ' ALA . 7.1 mmmt -77.09 -52.91 8.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 159' ' ' VAL . . . . . 1.112 ' O ' ' O ' ' A' ' 156' ' ' ALA . 25.4 t -99.17 160.14 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 1.017 ' HB3' HG11 ' A' ' 170' ' ' VAL . . . 63.79 -53.23 0.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . 0.631 ' N ' ' O ' ' A' ' 159' ' ' VAL . 0.2 OUTLIER -86.96 -11.51 50.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.003 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . 0.567 ' HB2' ' O ' ' A' ' 158' ' ' LYS . 3.6 m-70 -147.3 -34.79 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.595 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 0.911 ' HB3' ' HA ' ' A' ' 159' ' ' VAL . . . -118.43 92.56 43.71 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 91.04 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.508 1.794 . . . . 0.0 110.972 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.66 -62.56 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.999 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 6.5 tp -122.06 62.2 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . 1.08 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -47.11 -61.6 1.81 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . 0.985 ' H ' HD13 ' A' ' 167' ' ' LEU . 0.5 OUTLIER -40.19 -45.82 2.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.264 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . 0.589 ' O ' ' OG1' ' A' ' 173' ' ' THR . 0.0 OUTLIER -63.95 -40.76 97.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 170' ' ' VAL . . . . . 1.017 HG11 ' HB3' ' A' ' 160' ' ' ALA . 1.1 t -62.86 -61.55 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . 1.114 ' CE1' HD22 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -45.25 -49.54 12.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 172' ' ' HIS . . . . . 0.5 ' O ' ' N ' ' A' ' 176' ' ' ASN . 0.8 OUTLIER -58.5 -31.42 67.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.636 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 173' ' ' THR . . . . . 1.046 HG21 ' CG ' ' A' ' 155' ' ' LEU . 1.5 m -52.77 -49.06 66.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.414 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 174' ' ' THR . . . . . 0.727 ' HA ' ' HB ' ' A' ' 152' ' ' THR . 32.7 p -59.02 -63.71 1.21 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.395 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 175' ' ' VAL . . . . . 0.983 HG21 ' HB ' ' A' ' 21' ' ' VAL . 7.3 t -72.48 8.26 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 176' ' ' ASN . . . . . 0.766 ' ND2' HG22 ' A' ' 152' ' ' THR . 0.1 OUTLIER -73.15 -57.23 4.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.356 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 177' ' ' PHE . . . . . 0.903 ' HB2' HG21 ' A' ' 152' ' ' THR . 7.0 m-30 -65.13 -54.88 23.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 178' ' ' ILE . . . . . 0.793 ' HB ' HG23 ' A' ' 17' ' ' THR . 2.5 mt -51.09 -40.1 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 179' ' ' ASN . . . . . 0.736 ' O ' ' O ' ' A' ' 180' ' ' GLN . 11.5 t-20 -70.41 -33.03 70.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 180' ' ' GLN . . . . . 0.858 ' HG3' ' H ' ' A' ' 182' ' ' LEU . 0.4 OUTLIER -47.25 -152.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 110.26 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.635 ' N ' ' CG ' ' A' ' 180' ' ' GLN . 58.6 t30 -98.04 -30.8 12.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 182' ' ' LEU . . . . . 0.997 ' O ' ' O ' ' A' ' 183' ' ' PHE . 0.3 OUTLIER -80.53 -2.22 45.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.252 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 183' ' ' PHE . . . . . 0.997 ' O ' ' O ' ' A' ' 182' ' ' LEU . 0.1 OUTLIER 27.23 -178.93 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 184' ' ' SER . . . . . 0.786 ' N ' ' CG ' ' A' ' 183' ' ' PHE . 0.6 OUTLIER -47.71 178.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 110.014 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 185' ' ' TYR . . . . . 0.522 ' CZ ' ' HA ' ' A' ' 142' ' ' MET . 1.1 t80 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.971 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.593 HD11 ' CE1' ' A' ' 84' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 1.034 HG22 HG13 ' A' ' 175' ' ' VAL . 14.3 m -53.68 -59.07 5.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.386 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -48.88 -36.27 16.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.353 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.511 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.6 OUTLIER -61.29 -33.25 73.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.246 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.072 ' CD2' HD22 ' A' ' 90' ' ' LEU . 1.5 tm? -64.27 -45.79 86.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 1.0 ' HB ' HG21 ' A' ' 175' ' ' VAL . 0.5 OUTLIER -59.22 -64.29 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.742 ' HA ' ' CE2' ' A' ' 171' ' ' PHE . 1.4 t80 -62.27 -30.49 71.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 111.029 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -73.68 -34.95 55.91 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.514 1.134 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 1.175 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 1.3 t80 -56.9 -56.04 26.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 0.78 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 1.033 ' HB2' ' CZ ' ' A' ' 171' ' ' PHE . 0.3 OUTLIER -56.77 -43.37 80.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.579 ' HG3' ' N ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -59.97 -29.54 68.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.324 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.579 ' N ' ' HG3' ' A' ' 26' ' ' GLN . 0.1 OUTLIER -69.14 -86.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.3 t -144.35 50.14 1.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.001 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.707 ' HA3' HD12 ' A' ' 25' ' ' LEU . . . -99.73 -97.49 2.17 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.464 1.103 . . . . 0.0 111.043 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.631 ' HB3' ' CB ' ' A' ' 34' ' ' GLU . 43.5 t -110.64 -104.64 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 34' ' ' GLU . 2.7 m -143.83 166.93 23.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.403 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.694 ' HA ' HD11 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -46.52 -45.81 18.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 110.261 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 1.057 ' O ' HG23 ' A' ' 37' ' ' VAL . 1.1 mm-40 -60.64 -29.68 69.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.333 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.75 ' HG2' HD21 ' A' ' 25' ' ' LEU . 0.7 OUTLIER -71.45 -59.4 2.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.817 ' N ' HD23 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -46.36 -37.21 7.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.441 ' HA ' ' CE2' ' A' ' 22' ' ' PHE . 11.6 tt0 -72.44 -34.34 67.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 1.057 HG23 ' O ' ' A' ' 33' ' ' GLN . 64.1 t -62.2 -63.37 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 1.084 ' HB2' ' CD2' ' A' ' 171' ' ' PHE . 0.1 OUTLIER -73.12 -39.47 65.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.702 ' HA3' ' CD2' ' A' ' 22' ' ' PHE . . . -46.53 -56.39 7.31 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 111.038 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.78 . . . . 0.0 110.306 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.616 HG22 ' N ' ' A' ' 83' ' ' ILE . 4.6 mp . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.616 ' N ' HG22 ' A' ' 82' ' ' ILE . 6.3 mt -53.02 -38.84 30.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.353 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.593 ' CE1' HD11 ' A' ' 16' ' ' ILE . 44.4 m80 -61.94 -44.68 96.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.593 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.401 ' HB3' ' O ' ' A' ' 82' ' ' ILE . 3.6 t-20 -54.82 -50.06 69.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.559 HG22 ' O ' ' A' ' 83' ' ' ILE . 1.2 tp -61.71 -37.27 77.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.965 ' HA ' HD23 ' A' ' 20' ' ' LEU . . . -53.97 -44.45 70.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.548 ' C ' ' OG ' ' A' ' 27' ' ' SER . 0.3 OUTLIER -67.17 -51.98 47.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 1.055 ' O ' HG23 ' A' ' 93' ' ' ILE . 65.1 t60 -51.18 -20.5 1.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.569 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 1.072 HD22 ' CD2' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -58.1 -64.84 0.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 1.175 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -55.26 -45.2 76.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -51.64 -48.07 63.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.27 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 1.055 HG23 ' O ' ' A' ' 89' ' ' HIS . 1.7 pt -67.64 -22.17 28.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.54 -55.72 25.69 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.488 1.118 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -62.49 -51.57 66.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 0.776 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -61.38 -38.29 86.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.331 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.594 ' CB ' ' O ' ' A' ' 93' ' ' ILE . 7.0 tpp -51.45 -47.6 63.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.962 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.538 ' HA ' HD12 ' A' ' 101' ' ' ILE . 30.7 t0 -37.51 -32.46 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.455 ' N ' ' O ' ' A' ' 97' ' ' MET . 41.1 t60 -44.23 -39.93 4.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 109.584 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -143.74 87.6 1.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.751 HG22 ' O ' ' A' ' 101' ' ' ILE . 4.3 mt -116.41 81.29 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.986 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 3.4 tm0? 155.73 48.91 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.27 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.986 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.3 Cg_endo -75.01 76.86 3.28 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.888 ' OG1' ' O ' ' A' ' 103' ' ' PRO . 11.9 p 87.55 5.15 0.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.461 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.655 ' CB ' ' O ' ' A' ' 104' ' ' THR . 8.3 mt 103.01 26.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 1.011 HG22 ' CD2' ' A' ' 138' ' ' PHE . 0.9 OUTLIER -66.85 -75.41 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.823 ' N ' HG12 ' A' ' 106' ' ' VAL . 16.9 mmt180 -57.19 -15.61 6.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.152 . . . . 0.0 110.26 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.407 ' HB2' ' HA ' ' A' ' 105' ' ' LEU . 1.4 mm-40 -63.01 -48.97 76.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 1.227 HD12 ' N ' ' A' ' 110' ' ' ALA . 1.1 pp -60.44 -59.31 5.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.128 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 1.227 ' N ' HD12 ' A' ' 109' ' ' LEU . . . -50.3 -34.77 24.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.453 ' O ' ' HG3' ' A' ' 114' ' ' MET . . . -70.18 -24.06 63.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.763 ' CG ' ' O ' ' A' ' 109' ' ' LEU . 6.1 pt20 -54.89 -53.61 53.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.295 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 1.137 ' CD2' ' HB2' ' A' ' 130' ' ' ALA . 2.2 p90 -68.59 -38.46 80.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 111.007 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.755 ' CB ' HD12 ' A' ' 155' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.495 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.545 ' O ' ' N ' ' A' ' 129' ' ' LYS . 9.2 p30 -67.02 -42.38 85.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.708 ' SG ' HD23 ' A' ' 127' ' ' LEU . 1.6 p -51.65 -55.73 17.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 108.267 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.866 HD12 ' HB2' ' A' ' 176' ' ' ASN . 0.0 OUTLIER -57.0 -70.16 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -46.25 -29.84 1.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.561 ' HB2' ' O ' ' A' ' 126' ' ' CYS . 21.1 mtpt -60.94 -29.26 69.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 1.137 ' HB2' ' CD2' ' A' ' 113' ' ' PHE . . . -72.0 -46.44 57.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.859 ' HB2' HD21 ' A' ' 182' ' ' LEU . 0.3 OUTLIER -41.95 -46.86 4.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.281 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.866 ' O ' ' HB ' ' A' ' 136' ' ' THR . 7.7 t70 -67.0 -44.13 81.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.857 ' CB ' HD13 ' A' ' 109' ' ' LEU . 1.5 mp0 -61.93 -61.59 2.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.285 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 1.012 ' HA ' HD21 ' A' ' 109' ' ' LEU . 0.1 OUTLIER -52.62 -38.86 28.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.513 1.133 . . . . 0.0 109.245 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.634 ' CG ' ' O ' ' A' ' 131' ' ' LEU . 0.5 OUTLIER -84.17 7.35 19.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.866 ' HB ' ' O ' ' A' ' 132' ' ' ASP . 0.5 OUTLIER -110.57 -22.55 11.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 110.421 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.798 ' HB3' ' CE1' ' A' ' 138' ' ' PHE . . . -105.47 -49.02 3.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 1.011 ' CD2' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -117.54 59.57 2.83 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 111.024 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.707 ' HD3' ' C ' ' A' ' 137' ' ' ALA . 18.3 Cg_endo -74.97 155.46 43.05 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.493 1.786 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . 0.739 ' N ' ' CB ' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 161.93 -167.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . 0.688 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 0.8 OUTLIER -88.06 -105.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . 0.644 ' HA ' ' CE2' ' A' ' 185' ' ' TYR . 12.6 ptt? -63.45 -32.37 73.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -66.16 -60.72 2.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . 0.739 ' CB ' ' N ' ' A' ' 140' ' ' ARG . 2.1 t-20 -69.92 -56.94 5.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . 0.688 ' CB ' ' O ' ' A' ' 141' ' ' ASP . 10.4 m-20 -38.73 -54.67 1.56 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.244 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.501 ' O ' ' CG1' ' A' ' 150' ' ' ILE . 6.1 mmpt? -64.58 -33.31 75.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.579 ' N ' ' O ' ' A' ' 144' ' ' ASN . . . -61.32 -54.3 45.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.378 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' MET . . . . . 0.689 ' HG2' HG13 ' A' ' 134' ' ' VAL . 2.4 mtm -51.54 -57.09 10.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.155 . . . . 0.0 111.024 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 1.07 HD21 HD11 ' A' ' 90' ' ' LEU . 7.3 tp -54.77 -43.3 72.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 0.675 HG21 ' CZ ' ' A' ' 107' ' ' ARG . 1.3 mm -51.86 -31.86 13.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.108 . . . . 0.0 109.298 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' MET . . . . . 1.055 ' O ' ' CD2' ' A' ' 155' ' ' LEU . 4.9 mmm -61.76 -56.0 24.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 111.01 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' THR . . . . . 0.946 HG21 ' HB2' ' A' ' 177' ' ' PHE . 44.4 p -45.37 -47.16 13.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.427 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' MET . . . . . 0.953 ' CE ' HD11 ' A' ' 93' ' ' ILE . 26.2 mtm -68.27 -25.17 65.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 111.011 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.955 ' C ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -62.21 -51.23 68.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 1.107 ' HB2' HG21 ' A' ' 173' ' ' THR . 0.0 OUTLIER -52.93 -54.69 31.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 1.051 ' HA ' HG22 ' A' ' 170' ' ' VAL . . . -60.52 -54.91 39.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.492 ' O ' ' CE ' ' A' ' 157' ' ' LYS . 0.0 OUTLIER -43.18 -52.21 5.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.342 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . 0.873 ' O ' ' N ' ' A' ' 162' ' ' HIS . 11.5 mmtp -75.51 -54.06 7.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 159' ' ' VAL . . . . . 1.023 HG13 ' HB3' ' A' ' 163' ' ' ALA . 49.0 t -52.27 -56.13 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.723 ' N ' ' O ' ' A' ' 156' ' ' ALA . . . -32.73 -37.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 159' ' ' VAL . 0.4 OUTLIER -119.8 -10.91 9.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.02 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . 0.873 ' N ' ' O ' ' A' ' 158' ' ' LYS . 16.2 t-80 -95.46 -50.87 4.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.606 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 1.023 ' HB3' HG13 ' A' ' 159' ' ' VAL . . . -126.27 66.01 59.78 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 164' ' ' PRO . . . . . 0.501 ' HD3' ' C ' ' A' ' 162' ' ' HIS . 18.3 Cg_endo -74.96 5.6 3.87 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.519 1.8 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.2 -0.64 55.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.018 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 17.5 mt -143.8 48.49 1.41 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.579 1.174 . . . . 0.0 109.284 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . 1.046 HD22 HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -51.35 -21.88 2.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . 0.608 ' CG ' ' N ' ' A' ' 169' ' ' ASP . 3.3 ptm180 -61.98 -48.67 79.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . 0.654 ' O ' ' OG1' ' A' ' 173' ' ' THR . 2.6 t70 -65.54 -34.48 78.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 170' ' ' VAL . . . . . 1.051 HG22 ' HA ' ' A' ' 156' ' ' ALA . 0.9 OUTLIER -48.9 -60.32 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . 1.084 ' CD2' ' HB2' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -57.16 -50.95 71.24 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 172' ' ' HIS . . . . . 0.603 ' O ' ' CB ' ' A' ' 176' ' ' ASN . 3.5 t-160 -49.25 -42.46 40.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.544 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 173' ' ' THR . . . . . 1.107 HG21 ' HB2' ' A' ' 155' ' ' LEU . 1.7 m -52.97 -52.39 58.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.369 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 174' ' ' THR . . . . . 0.653 ' HA ' ' HB ' ' A' ' 152' ' ' THR . 16.8 p -57.88 -68.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.462 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 175' ' ' VAL . . . . . 1.034 HG13 HG22 ' A' ' 17' ' ' THR . 16.2 t -70.64 12.42 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.138 . . . . 0.0 109.339 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 176' ' ' ASN . . . . . 0.866 ' HB2' HD12 ' A' ' 127' ' ' LEU . 0.1 OUTLIER -77.11 -56.18 4.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 177' ' ' PHE . . . . . 0.949 ' HB3' HD23 ' A' ' 182' ' ' LEU . 7.0 m-30 -68.27 -47.18 68.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.959 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 178' ' ' ILE . . . . . 0.888 ' CG2' HG23 ' A' ' 17' ' ' THR . 4.0 mt -53.43 -58.2 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.365 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 179' ' ' ASN . . . . . 0.741 ' N ' HG21 ' A' ' 17' ' ' THR . 0.3 OUTLIER -58.82 -37.23 75.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 180' ' ' GLN . . . . . 0.556 ' HG2' ' CD2' ' A' ' 131' ' ' LEU . 12.1 tp60 -53.33 -104.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.611 ' C ' HD13 ' A' ' 182' ' ' LEU . 16.2 t-20 -123.73 -5.55 8.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 182' ' ' LEU . . . . . 0.949 HD23 ' HB3' ' A' ' 177' ' ' PHE . 0.0 OUTLIER -94.74 35.81 1.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 183' ' ' PHE . . . . . 0.543 ' O ' ' CG ' ' A' ' 183' ' ' PHE . 1.1 t80 -44.54 71.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 184' ' ' SER . . . . . 0.819 ' N ' ' O ' ' A' ' 182' ' ' LEU . 0.4 OUTLIER 56.06 138.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.978 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 185' ' ' TYR . . . . . 0.644 ' CE2' ' HA ' ' A' ' 142' ' ' MET . 2.0 t80 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.475 HG22 ' N ' ' A' ' 17' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 1.042 HG22 HG13 ' A' ' 175' ' ' VAL . 3.0 m -53.05 -43.95 67.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.421 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -48.76 -46.0 40.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 109.235 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.646 HD22 ' CE1' ' A' ' 84' ' ' HIS . 0.8 OUTLIER -66.34 -25.37 66.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.192 ' CD1' HD22 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -62.44 -50.28 72.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.915 ' H ' HG21 ' A' ' 175' ' ' VAL . 0.4 OUTLIER -55.27 -59.28 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.774 ' CE1' ' HB3' ' A' ' 35' ' ' LEU . 3.4 t80 -63.89 -27.5 69.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -72.9 -40.9 50.87 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 1.174 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 0.3 OUTLIER -52.2 -53.57 41.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.0 110.968 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.987 HD21 ' CG ' ' A' ' 34' ' ' GLU . 6.2 tp -59.29 -41.31 88.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.75 ' CA ' HD21 ' A' ' 35' ' ' LEU . 0.3 OUTLIER -56.48 -33.85 66.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 -179.93 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.507 ' OG ' ' O ' ' A' ' 24' ' ' PHE . 0.3 OUTLIER -60.86 -73.11 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.014 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.7 t -142.13 28.48 1.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.972 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.623 ' CA ' HD12 ' A' ' 25' ' ' LEU . . . -61.3 -146.91 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.532 ' HB3' ' CB ' ' A' ' 34' ' ' GLU . 7.5 t -86.4 -87.39 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.452 ' H ' ' HB2' ' A' ' 34' ' ' GLU . 5.7 t -146.99 172.26 13.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.418 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.86 -54.83 9.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -53.39 -27.71 25.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.255 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.987 ' CG ' HD21 ' A' ' 25' ' ' LEU . 9.7 tp10 -68.41 -56.19 9.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.954 ' HG ' ' HB3' ' A' ' 25' ' ' LEU . 9.7 mp -46.75 -38.46 10.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.22 -45.12 67.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.89 HG13 HD23 ' A' ' 167' ' ' LEU . 0.4 OUTLIER -62.67 -58.67 6.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 1.048 HD22 ' O ' ' A' ' 167' ' ' LEU . 19.7 mt -69.96 -44.57 69.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.641 ' N ' ' CD2' ' A' ' 171' ' ' PHE . . . -50.43 -51.16 33.05 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.45 1.094 . . . . 0.0 111.047 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.0 110.319 179.973 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.412 HG13 ' CB ' ' A' ' 85' ' ' ASN . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.542 ' O ' HG22 ' A' ' 86' ' ' ILE . 2.6 mp -54.8 -50.58 59.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.646 ' CE1' HD22 ' A' ' 19' ' ' LEU . 95.4 m-70 -62.13 -30.53 71.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.578 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.412 ' CB ' HG13 ' A' ' 82' ' ' ILE . 1.5 t-20 -60.31 -50.79 72.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.542 HG22 ' O ' ' A' ' 83' ' ' ILE . 1.1 tp -64.78 -29.91 48.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.791 ' HB1' ' HA ' ' A' ' 20' ' ' LEU . . . -54.6 -50.46 67.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.485 ' O ' ' CB ' ' A' ' 27' ' ' SER . 5.6 mtp180 -68.41 -41.88 79.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.548 ' CE1' HG12 ' A' ' 93' ' ' ILE . 60.5 t60 -60.35 -16.32 33.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.605 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 1.192 HD22 ' CD1' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -59.84 -65.37 0.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.266 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 1.174 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -56.67 -54.72 42.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.341 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -52.13 -27.77 15.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.548 HG12 ' CE1' ' A' ' 89' ' ' HIS . 1.0 OUTLIER -70.67 -38.03 71.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.269 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -59.62 -53.85 42.61 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.501 1.126 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -63.95 -51.38 64.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 0.759 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -57.56 -42.87 83.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.266 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.532 ' HB2' ' O ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -54.06 -44.84 71.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 110.97 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.55 -29.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.44 ' N ' ' C ' ' A' ' 97' ' ' MET . 1.6 t-80 -55.69 -52.17 64.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 109.622 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 97' ' ' MET . 13.5 p-10 -146.96 86.57 1.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.623 HG22 ' O ' ' A' ' 101' ' ' ILE . 0.2 OUTLIER -143.46 101.77 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.859 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 6.8 mt-30 159.39 52.0 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.334 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.859 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.2 Cg_endo -75.05 4.57 4.65 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.515 1.797 . . . . 0.0 111.026 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.703 ' O ' HD12 ' A' ' 105' ' ' LEU . 0.8 OUTLIER 177.38 -0.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.561 1.163 . . . . 0.0 110.365 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.703 HD12 ' O ' ' A' ' 104' ' ' THR . 3.0 mt 107.8 46.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 1.129 HG12 ' CE2' ' A' ' 138' ' ' PHE . 0.0 OUTLIER -52.26 -93.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.472 ' HG2' ' CG2' ' A' ' 101' ' ' ILE . 0.0 OUTLIER -46.47 -19.54 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.295 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.521 ' HB3' ' HB3' ' A' ' 105' ' ' LEU . 0.6 OUTLIER -69.39 -54.71 13.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 110.272 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 1.239 HD12 ' N ' ' A' ' 110' ' ' ALA . 1.3 pp -63.43 -59.88 4.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.447 1.092 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 1.239 ' N ' HD12 ' A' ' 109' ' ' LEU . . . -44.95 -48.34 11.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.447 ' CB ' ' O ' ' A' ' 107' ' ' ARG . . . -62.28 -20.13 63.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 1.049 ' CD ' ' O ' ' A' ' 109' ' ' LEU . 0.2 OUTLIER -54.89 -49.55 70.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.308 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 1.082 ' CD2' ' O ' ' A' ' 110' ' ' ALA . 2.4 p90 -63.88 -41.41 97.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.854 ' HG3' HD23 ' A' ' 155' ' ' LEU . 8.2 ttp . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.754 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.525 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 3.3 t-20 -70.85 -31.82 68.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.492 ' O ' ' HB3' ' A' ' 129' ' ' LYS . 0.0 OUTLIER -44.38 -59.35 2.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 108.293 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.821 ' HA ' ' CZ ' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -51.39 -69.36 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -45.97 -29.09 1.31 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.525 ' HB2' ' O ' ' A' ' 125' ' ' ASN . 0.0 OUTLIER -59.66 -31.06 69.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 109.311 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.967 ' HB2' ' CD2' ' A' ' 113' ' ' PHE . . . -71.66 -47.43 54.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 1.015 HD12 ' SD ' ' A' ' 148' ' ' MET . 0.0 OUTLIER -39.97 -45.96 1.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.538 ' O ' ' HB ' ' A' ' 136' ' ' THR . 0.1 OUTLIER -70.67 -41.04 72.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.903 ' HB3' HD13 ' A' ' 109' ' ' LEU . 7.9 mm-40 -64.77 -61.35 2.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.316 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 1.056 HG23 ' CD2' ' A' ' 138' ' ' PHE . 0.2 OUTLIER -44.13 -44.82 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.736 ' O ' ' CG ' ' A' ' 139' ' ' PRO . 37.5 mtmt -72.25 -31.52 65.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.806 HG22 ' O ' ' A' ' 133' ' ' GLU . 0.7 OUTLIER -58.49 -20.13 43.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.364 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.845 ' HB3' ' CE1' ' A' ' 138' ' ' PHE . . . -114.76 -46.86 2.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 1.129 ' CE2' HG12 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -118.16 58.58 3.15 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.165 . . . . 0.0 110.974 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.736 ' CG ' ' O ' ' A' ' 135' ' ' LYS . 18.2 Cg_endo -75.0 149.17 36.3 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.489 1.784 . . . . 0.0 110.945 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . 0.798 ' HB2' ' CG ' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 162.82 -171.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.352 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . 0.578 ' O ' ' N ' ' A' ' 145' ' ' ASP . 1.7 m-20 -84.77 -141.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . 0.45 ' O ' ' HB3' ' A' ' 146' ' ' LYS . 31.9 mmt -49.04 -33.94 12.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 111.021 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.38 -67.79 0.27 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . 0.858 ' HB3' ' O ' ' A' ' 138' ' ' PHE . 0.9 OUTLIER -76.43 -44.61 35.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . 0.578 ' N ' ' O ' ' A' ' 141' ' ' ASP . 7.7 t70 -36.9 -50.53 0.87 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.45 ' HB3' ' O ' ' A' ' 142' ' ' MET . 0.5 OUTLIER -54.43 -32.08 56.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.739 ' N ' ' O ' ' A' ' 144' ' ' ASN . . . -57.03 -55.25 37.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.586 1.179 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' MET . . . . . 1.015 ' SD ' HD12 ' A' ' 131' ' ' LEU . 0.0 OUTLIER -51.35 -42.84 61.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 111.055 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.882 ' N ' ' HG3' ' A' ' 148' ' ' MET . 2.1 tp -55.62 -43.94 76.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' ILE . . . . . 0.644 HD12 ' HA ' ' A' ' 147' ' ' ALA . 52.8 mt -55.46 -32.35 29.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' MET . . . . . 0.807 ' HE3' ' O ' ' A' ' 106' ' ' VAL . 23.5 mmm -57.69 -52.81 63.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' THR . . . . . 0.912 HG21 ' HB2' ' A' ' 177' ' ' PHE . 44.8 p -53.87 -47.98 70.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.39 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' MET . . . . . 0.519 ' HE2' HG22 ' A' ' 93' ' ' ILE . 2.7 mpp? -62.79 -27.54 69.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.952 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.977 ' C ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -57.27 -57.27 13.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 1.049 HD21 ' CZ ' ' A' ' 113' ' ' PHE . 5.4 mp -48.31 -49.36 34.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 1.028 ' O ' ' O ' ' A' ' 159' ' ' VAL . . . -64.82 -46.29 82.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.346 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 7.5 tptp -48.67 -51.87 26.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.35 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . 0.818 ' O ' ' N ' ' A' ' 163' ' ' ALA . 0.0 OUTLIER -78.2 -51.52 10.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 109.295 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 159' ' ' VAL . . . . . 1.028 ' O ' ' O ' ' A' ' 156' ' ' ALA . 57.7 t -90.48 154.97 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.943 ' CB ' HG11 ' A' ' 170' ' ' VAL . . . 70.92 -47.75 0.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . 0.469 ' H ' ' C ' ' A' ' 159' ' ' VAL . 0.2 OUTLIER -96.2 -9.51 30.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.951 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . 0.646 ' CB ' ' O ' ' A' ' 158' ' ' LYS . 0.1 OUTLIER -151.53 -35.64 0.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.573 1.17 . . . . 0.0 109.606 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 0.982 ' HB3' ' HA ' ' A' ' 159' ' ' VAL . . . -113.45 98.2 45.9 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 53.92 3.48 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.499 1.789 . . . . 0.0 111.007 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . 0.574 ' C ' HD13 ' A' ' 166' ' ' LEU . 3.9 m -111.13 -65.3 1.18 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.004 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.631 ' O ' ' N ' ' A' ' 170' ' ' VAL . 0.2 OUTLIER -105.89 53.14 0.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.336 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . 1.048 ' O ' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -52.32 -59.07 4.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . 0.993 ' N ' HD22 ' A' ' 167' ' ' LEU . 0.7 OUTLIER -58.16 -48.78 79.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.318 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . 0.615 ' N ' ' CG ' ' A' ' 168' ' ' ARG . 0.2 OUTLIER -62.33 -36.56 82.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 170' ' ' VAL . . . . . 0.943 HG11 ' CB ' ' A' ' 160' ' ' ALA . 1.0 OUTLIER -50.37 -57.78 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 171' ' ' PHE . . . . . 0.952 ' CE1' HD22 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -50.12 -53.65 25.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 172' ' ' HIS . . . . . 0.632 ' O ' ' CB ' ' A' ' 176' ' ' ASN . 22.2 t-160 -54.35 -29.18 47.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.569 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 173' ' ' THR . . . . . 0.866 ' O ' ' HB ' ' A' ' 152' ' ' THR . 2.1 m -56.6 -57.24 13.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.396 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 174' ' ' THR . . . . . 0.557 ' HA ' ' CB ' ' A' ' 152' ' ' THR . 32.7 p -53.79 -64.77 0.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.402 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 175' ' ' VAL . . . . . 1.042 HG13 HG22 ' A' ' 17' ' ' THR . 33.3 t -72.42 9.26 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 176' ' ' ASN . . . . . 0.795 ' HB3' ' O ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -77.44 -55.62 5.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 177' ' ' PHE . . . . . 0.912 ' HB2' HG21 ' A' ' 152' ' ' THR . 3.6 m-30 -62.09 -51.77 66.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 178' ' ' ILE . . . . . 0.919 HD11 HD21 ' A' ' 90' ' ' LEU . 2.4 mt -55.2 -45.26 77.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -58.63 -39.98 82.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -94.7 1.38 55.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.275 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 181' ' ' ASN . . . . . 0.789 ' ND2' HD22 ' A' ' 182' ' ' LEU . 57.5 t30 -97.62 -143.49 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 182' ' ' LEU . . . . . 0.845 HD13 ' N ' ' A' ' 182' ' ' LEU . 0.0 OUTLIER -95.29 41.96 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 183' ' ' PHE . . . . . 0.646 ' O ' ' CD2' ' A' ' 183' ' ' PHE . 5.3 t80 21.08 95.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 184' ' ' SER . . . . . 0.621 ' CB ' ' O ' ' A' ' 183' ' ' PHE . 2.0 m 95.57 70.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.974 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 185' ' ' TYR . . . . . 0.463 ' CD1' ' OD1' ' A' ' 145' ' ' ASP . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.989 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 ptt? . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.5 0.19 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 168.62 127.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 175.94 128.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.992 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 175.95 120.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 110.27 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.402 ' O ' ' CB ' ' A' ' 6' ' ' SER . 12.2 p -164.86 146.49 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' ' 5' ' ' VAL . 0.5 OUTLIER 166.69 129.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.995 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 32.0 t30 176.48 160.7 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 109.26 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 142.2 112.28 0.9 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.461 1.101 . . . . 0.0 110.97 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.9 t -148.44 160.99 42.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 0.78 . . . . 0.0 109.975 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.45 -173.32 14.66 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.499 1.125 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 mm? 66.26 135.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 0.749 . . . . 0.0 109.33 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.553 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . 115.61 -149.67 18.8 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.545 1.153 . . . . 0.0 111.009 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.553 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . 74.03 129.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 0.747 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.496 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.2 OUTLIER -169.81 145.83 3.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 38.6 m80 -63.61 -52.11 62.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.602 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.7 ' CG1' ' CZ ' ' A' ' 183' ' ' PHE . 8.6 tp -62.78 -31.93 53.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.806 HG23 HG13 ' A' ' 175' ' ' VAL . 0.9 OUTLIER -53.33 -63.52 1.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.416 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -51.7 -35.82 44.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.593 HD13 ' NE2' ' A' ' 84' ' ' HIS . 1.0 OUTLIER -56.51 -33.16 65.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.083 HD21 HD22 ' A' ' 90' ' ' LEU . 1.5 tm? -65.24 -42.77 93.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.962 ' HB ' HG21 ' A' ' 175' ' ' VAL . 0.4 OUTLIER -63.89 -63.62 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 1.118 ' CE1' HD12 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -63.37 -32.0 73.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 111.01 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.543 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -74.29 -40.22 41.6 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 1.263 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 0.5 OUTLIER -51.89 -55.18 21.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 0.761 . . . . 0.0 111.047 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 1.052 HD22 HD12 ' A' ' 38' ' ' LEU . 6.3 tp -60.88 -42.79 98.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.8 tm0? -49.23 -33.28 12.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.508 ' CB ' ' HB2' ' A' ' 88' ' ' ARG . 0.1 OUTLIER -82.88 -57.03 3.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.036 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.46 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 11.8 t -145.29 -141.87 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.049 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.539 ' HA3' HD12 ' A' ' 25' ' ' LEU . . . 81.78 -144.09 23.84 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.436 1.085 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.755 ' H ' HD11 ' A' ' 25' ' ' LEU . 34.6 t -56.06 -110.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.425 ' O ' ' HB3' ' A' ' 34' ' ' GLU . 5.1 m -140.96 170.3 15.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.45 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 1.047 ' O ' HD23 ' A' ' 35' ' ' LEU . 14.3 ptt180 -49.6 -55.3 14.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.259 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -51.85 -27.66 13.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.165 . . . . 0.0 110.316 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.721 ' CG ' HD21 ' A' ' 25' ' ' LEU . 2.9 tp10 -68.11 -57.48 6.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 110.276 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 1.118 HD12 ' CE1' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -46.57 -32.57 3.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.542 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 5.2 tt0 -68.12 -46.62 70.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.804 HG13 HD23 ' A' ' 167' ' ' LEU . 0.3 OUTLIER -65.73 -56.77 13.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.052 HD12 HD22 ' A' ' 25' ' ' LEU . 5.1 mt -67.45 -49.4 63.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.419 1.074 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.732 ' HA3' ' CD1' ' A' ' 22' ' ' PHE . . . -57.62 -41.52 93.7 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.542 ' CB ' ' O ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -50.65 97.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 0.761 . . . . 0.0 110.275 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.438 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 0.9 OUTLIER -143.33 130.48 20.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 110.318 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -101.01 105.93 41.53 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.492 ' CD ' ' HB2' ' A' ' 47' ' ' TYR . 18.3 Cg_endo -75.04 -163.72 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.51 1.795 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.506 ' O ' ' CG ' ' A' ' 45' ' ' GLN . 54.4 t -88.1 86.85 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.53 ' O ' ' HB2' ' A' ' 46' ' ' ALA . 2.8 mm-40 159.73 -92.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.265 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.53 ' HB2' ' O ' ' A' ' 45' ' ' GLN . . . 174.21 63.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.514 ' O ' ' CB ' ' A' ' 48' ' ' TRP . 33.1 t80 -41.19 164.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.969 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.514 ' CB ' ' O ' ' A' ' 47' ' ' TYR . 0.1 OUTLIER 161.1 136.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 108.037 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.701 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 3.9 tt0 -146.1 -150.64 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.701 ' HB2' ' O ' ' A' ' 49' ' ' GLU . . . 162.63 163.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.468 ' O ' ' C ' ' A' ' 52' ' ' LEU . 5.7 t0 -172.24 108.09 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.468 ' C ' ' O ' ' A' ' 51' ' ' ASP . 1.3 pt? -35.22 150.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.74 172.78 7.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 110.338 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -122.0 169.57 10.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -153.97 -179.79 8.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.31 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.68 -179.22 7.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -163.39 126.76 2.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 26.8 p -87.8 -168.58 2.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.401 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -156.36 156.76 34.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -125.93 -98.33 1.11 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.3 p 79.05 153.34 0.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 0.755 . . . . 0.0 109.965 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -134.91 -66.88 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.6 117.32 3.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 49.8 m -166.13 125.34 1.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.985 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 66' ' ' SER . 12.0 ttp-105 -91.98 145.13 24.78 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 110.33 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 65' ' ' ARG . 55.7 p -35.92 105.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.004 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -177.88 93.88 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 176.22 156.73 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -175.17 73.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 166.9 133.02 1.46 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -149.38 45.12 0.96 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 0.767 . . . . 0.0 110.266 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.8 mp -88.96 146.97 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.65 159.02 32.01 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 157.22 42.85 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.492 1.785 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -156.12 111.42 2.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.81 122.97 9.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 109.965 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -119.57 119.59 34.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.1 t -162.56 102.85 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.002 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -134.13 123.22 24.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -78.27 160.94 27.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 66.74 115.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.254 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 3.7 pt -99.05 -37.26 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.65 ' O ' HG22 ' A' ' 86' ' ' ILE . 0.4 OUTLIER -52.24 -56.25 7.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.593 ' NE2' HD13 ' A' ' 19' ' ' LEU . 30.3 m80 -54.65 -39.22 67.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.556 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.496 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 0.9 OUTLIER -54.3 -44.17 71.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 109.268 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.65 HG22 ' O ' ' A' ' 83' ' ' ILE . 1.3 tp -61.4 -35.22 65.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.706 ' HB1' ' HA ' ' A' ' 20' ' ' LEU . . . -57.27 -58.91 6.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.508 ' HB2' ' CB ' ' A' ' 27' ' ' SER . 2.8 ptt180 -64.16 -37.34 87.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.428 ' N ' ' CG ' ' A' ' 88' ' ' ARG . 15.4 t-80 -57.1 -25.36 58.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.58 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 1.083 HD22 HD21 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -55.11 -60.05 3.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.321 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 1.263 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -54.76 -52.25 63.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -47.87 -35.07 9.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.313 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.921 HG22 ' CE ' ' A' ' 153' ' ' MET . 9.6 mm -70.66 -34.16 55.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.459 ' N ' ' SD ' ' A' ' 153' ' ' MET . . . -57.44 -52.9 48.97 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -60.05 -52.48 65.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -56.69 -41.23 76.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.524 ' CE ' HD13 ' A' ' 150' ' ' ILE . 0.0 OUTLIER -52.79 -44.86 66.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 97' ' ' MET . 22.3 t0 -39.06 -29.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.472 ' N ' ' C ' ' A' ' 97' ' ' MET . 20.1 t-160 -51.49 -53.5 36.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.137 . . . . 0.0 109.595 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 97' ' ' MET . 1.9 t-20 -147.77 85.93 1.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.849 HG23 ' O ' ' A' ' 101' ' ' ILE . 1.7 tt -118.73 72.69 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.737 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 6.3 mt-30 157.95 55.85 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.253 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.737 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.4 Cg_endo -74.96 7.16 2.97 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.466 1.771 . . . . 0.0 111.024 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.725 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 0.4 OUTLIER 177.58 7.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.397 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.725 ' HB2' ' O ' ' A' ' 104' ' ' THR . 6.0 mt 105.47 32.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.345 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.867 ' HA ' ' CZ ' ' A' ' 138' ' ' PHE . 2.1 t -63.17 -82.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.81 ' N ' HG12 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -53.34 -17.83 2.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.325 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.24 -50.49 70.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.338 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 1.179 HD12 ' N ' ' A' ' 110' ' ' ALA . 1.9 pp -62.38 -60.01 4.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 1.179 ' N ' HD12 ' A' ' 109' ' ' LEU . . . -48.57 -37.77 18.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -70.0 -23.1 63.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.775 ' CG ' ' O ' ' A' ' 109' ' ' LEU . 4.1 pt20 -55.26 -52.61 62.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 1.084 ' CD2' ' HB2' ' A' ' 130' ' ' ALA . 1.5 p90 -67.94 -39.06 83.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 111.063 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.709 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 8.9 tmm? -55.04 65.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.724 ' N ' ' O ' ' A' ' 113' ' ' PHE . 19.6 p-10 -145.33 155.19 43.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.258 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 59.58 154.53 0.02 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.522 1.139 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.628 ' HA ' HD11 ' A' ' 166' ' ' LEU . 13.7 p -85.03 10.47 11.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.75 . . . . 0.0 110.025 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.646 HD12 ' O ' ' A' ' 118' ' ' LEU . 0.9 OUTLIER -178.39 90.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.26 143.77 33.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.021 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 62.16 29.06 17.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 110.301 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.513 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 6.0 mp0 51.86 67.95 0.88 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.315 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.513 ' CB ' ' O ' ' A' ' 121' ' ' GLU . 5.4 m-20 154.48 106.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 109.264 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.455 ' CG ' ' O ' ' A' ' 117' ' ' SER . 0.0 OUTLIER -76.58 77.97 3.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.653 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER 166.72 -29.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.5 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 1.2 t30 -68.1 -40.29 82.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.501 ' HB2' ' HB2' ' A' ' 113' ' ' PHE . 2.6 p -49.99 -55.36 14.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 108.323 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.888 ' HA ' ' CZ ' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -51.32 -70.63 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -43.38 -29.62 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.5 ' HB2' ' O ' ' A' ' 125' ' ' ASN . 4.9 tttp -63.36 -28.05 69.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 1.084 ' HB2' ' CD2' ' A' ' 113' ' ' PHE . . . -72.36 -47.48 49.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.957 HD13 ' SD ' ' A' ' 148' ' ' MET . 0.0 OUTLIER -40.8 -46.95 2.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.445 ' O ' ' HB ' ' A' ' 136' ' ' THR . 0.3 OUTLIER -68.85 -39.41 79.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.76 ' CB ' HD13 ' A' ' 109' ' ' LEU . 9.0 mt-10 -67.86 -61.07 2.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.271 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 1.175 HG23 ' CE2' ' A' ' 138' ' ' PHE . 0.2 OUTLIER -43.28 -42.36 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.591 ' O ' ' CD ' ' A' ' 139' ' ' PRO . 4.9 ttpt -72.55 -35.15 67.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.244 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.757 HG22 ' O ' ' A' ' 133' ' ' GLU . 0.7 OUTLIER -56.95 -26.49 59.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.396 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.866 ' HB3' ' CE1' ' A' ' 138' ' ' PHE . . . -102.42 -50.17 3.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 1.175 ' CE2' HG23 ' A' ' 134' ' ' VAL . 0.0 OUTLIER -117.78 62.53 4.03 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.81 ' C ' ' HB2' ' A' ' 144' ' ' ASN . 18.4 Cg_endo -74.97 156.31 43.11 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.456 1.766 . . . . 0.0 111.031 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.754 ' N ' ' CB ' ' A' ' 144' ' ' ASN . 21.9 mtt180 155.01 -169.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.702 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 41.5 m-20 -89.44 -103.64 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . 0.592 ' CB ' ' CE2' ' A' ' 185' ' ' TYR . 17.1 ptt? -61.69 -32.84 73.07 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -62.32 1.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.254 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . 0.81 ' HB2' ' C ' ' A' ' 139' ' ' PRO . 4.1 t30 -67.92 -59.29 3.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.702 ' CB ' ' O ' ' A' ' 141' ' ' ASP . 9.8 t70 -39.85 -52.89 2.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.896 ' O ' HG23 ' A' ' 150' ' ' ILE . 10.0 ttmt -66.75 -29.5 69.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.602 ' N ' ' O ' ' A' ' 144' ' ' ASN . . . -63.23 -59.61 4.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . 0.957 ' SD ' HD13 ' A' ' 131' ' ' LEU . 1.4 ptp -50.65 -44.51 57.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 110.965 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.664 ' N ' ' HG3' ' A' ' 148' ' ' MET . 0.5 OUTLIER -53.12 -43.64 67.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 0.0 109.269 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.896 HG23 ' O ' ' A' ' 146' ' ' LYS . 0.6 OUTLIER -53.58 -31.51 19.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' MET . . . . . 1.094 ' O ' ' CD2' ' A' ' 155' ' ' LEU . 5.3 mmm -63.88 -54.68 30.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . 0.918 HG23 ' HA ' ' A' ' 174' ' ' THR . 0.6 OUTLIER -42.77 -52.53 4.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 110.387 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' MET . . . . . 0.921 ' CE ' HG22 ' A' ' 93' ' ' ILE . 10.8 ptt? -69.49 -25.47 64.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.964 ' C ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -57.59 -51.75 68.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 1.094 ' CD2' ' O ' ' A' ' 151' ' ' MET . 0.0 OUTLIER -52.0 -57.43 9.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.947 ' HA ' HG22 ' A' ' 170' ' ' VAL . . . -55.66 -53.88 51.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.507 ' HB2' ' O ' ' A' ' 153' ' ' MET . 0.0 OUTLIER -43.24 -54.21 4.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . 0.938 ' O ' ' N ' ' A' ' 162' ' ' HIS . 0.0 OUTLIER -78.53 -56.81 4.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.285 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . 1.122 ' CG1' ' HB3' ' A' ' 163' ' ' ALA . 49.1 t -49.6 -57.74 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.699 ' N ' ' O ' ' A' ' 156' ' ' ALA . . . -32.65 -40.2 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 159' ' ' VAL . 0.4 OUTLIER -116.22 -12.19 11.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.976 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . 0.938 ' N ' ' O ' ' A' ' 158' ' ' LYS . 19.2 t60 -93.82 -49.37 5.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.566 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 1.122 ' HB3' ' CG1' ' A' ' 159' ' ' VAL . . . -116.81 81.42 11.91 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -3.47 13.97 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.511 1.795 . . . . 0.0 111.017 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.19 -12.27 23.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.965 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.831 HD22 ' CB ' ' A' ' 169' ' ' ASP . 10.6 mt -111.83 40.55 2.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . 0.984 ' O ' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -51.33 -60.56 2.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . 0.924 ' H ' HD13 ' A' ' 167' ' ' LEU . 21.6 ptt180 -53.81 -45.72 70.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.278 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . 0.831 ' CB ' HD22 ' A' ' 166' ' ' LEU . 0.3 OUTLIER -64.33 -37.72 88.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' VAL . . . . . 0.947 HG22 ' HA ' ' A' ' 156' ' ' ALA . 0.4 OUTLIER -48.51 -55.52 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . 0.971 ' CE1' HD22 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -60.5 -48.04 83.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.085 . . . . 0.0 110.987 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' HIS . . . . . 0.58 ' CE1' ' HB3' ' A' ' 124' ' ' ARG . 22.1 t-160 -52.98 -36.21 59.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.629 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . 1.065 HG21 ' CB ' ' A' ' 155' ' ' LEU . 93.3 m -58.62 -47.93 82.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.367 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' THR . . . . . 0.918 ' HA ' HG23 ' A' ' 152' ' ' THR . 16.1 p -61.64 -63.51 1.25 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 110.416 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' VAL . . . . . 0.962 HG21 ' HB ' ' A' ' 21' ' ' VAL . 2.3 t -70.12 8.43 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . 0.712 ' HB2' ' CD1' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -77.34 -59.32 2.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . 0.857 ' CE2' ' HB2' ' A' ' 151' ' ' MET . 2.6 m-30 -61.23 -52.88 62.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.97 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . 0.73 HD11 HG23 ' A' ' 17' ' ' THR . 0.0 OUTLIER -56.46 -43.17 77.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.312 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . 0.632 ' CB ' ' O ' ' A' ' 175' ' ' VAL . 7.4 t-20 -63.86 -43.26 96.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.68 -23.51 53.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.282 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.846 ' OD1' HD22 ' A' ' 182' ' ' LEU . 4.5 t-20 -101.31 -154.35 0.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . 0.846 HD22 ' OD1' ' A' ' 181' ' ' ASN . 0.0 OUTLIER -94.74 75.29 3.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.254 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 183' ' ' PHE . . . . . 0.7 ' CZ ' ' CG1' ' A' ' 16' ' ' ILE . 0.7 OUTLIER 22.17 -86.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.967 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 184' ' ' SER . . . . . 0.64 ' N ' ' CG ' ' A' ' 183' ' ' PHE . 2.2 t -116.01 113.5 23.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.024 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 185' ' ' TYR . . . . . 0.592 ' CE2' ' CB ' ' A' ' 142' ' ' MET . 68.1 t80 -44.29 -30.84 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.988 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 186' ' ' VAL . . . . . 0.71 ' O ' HG23 ' A' ' 190' ' ' VAL . 48.4 t -72.05 -39.0 65.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 184' ' ' SER . 15.3 tpt180 -54.06 -53.83 47.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 110.309 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 188' ' ' ASN . . . . . 0.438 ' OD1' ' C ' ' A' ' 185' ' ' TYR . 0.9 OUTLIER -61.93 -44.31 97.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 18.5 tp -54.1 -44.03 70.88 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . 0.71 HG23 ' O ' ' A' ' 186' ' ' VAL . 72.7 t -57.98 -46.23 87.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 3.5 mtt-85 -59.65 -50.99 71.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.254 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 26.5 m-20 -54.97 -48.78 72.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.62 158.64 35.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 194' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER 70.51 138.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 111.024 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.972 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 tpt . . . . . 0 N--CA 1.454 -0.257 0 CA-C-O 120.49 0.186 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -52.89 159.68 1.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.0 p -154.04 136.55 15.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.973 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -101.47 71.29 1.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.284 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.3 p -92.95 -29.34 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t 63.97 143.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.02 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -100.91 151.23 21.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.461 ' CA ' ' HG2' ' A' ' 73' ' ' GLU . . . -131.24 -118.64 2.01 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.84 179.24 6.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 0.78 . . . . 0.0 109.983 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.67 -179.13 16.63 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.501 1.126 . . . . 0.0 111.038 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.0 tt -73.88 -60.05 2.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.766 . . . . 0.0 109.28 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.05 46.97 0.53 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.444 1.09 . . . . 0.0 111.04 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -135.63 40.99 2.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 0.754 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.499 ' O ' ' CB ' ' A' ' 17' ' ' THR . 10.2 ptpt -179.9 -38.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.508 ' C ' ' H ' ' A' ' 17' ' ' THR . 30.6 m-70 -54.6 -38.88 67.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.613 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.2 tp -55.21 -8.92 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.27 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.906 HG23 HD11 ' A' ' 178' ' ' ILE . 1.2 m -51.79 -67.37 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.403 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -49.54 -37.25 26.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 23' ' ' GLY . 1.0 OUTLIER -58.33 -31.33 67.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.155 HD21 HD22 ' A' ' 90' ' ' LEU . 1.0 OUTLIER -66.61 -45.28 79.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 1.077 ' HB ' HG21 ' A' ' 175' ' ' VAL . 0.4 OUTLIER -62.76 -61.38 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 1.105 ' CD1' HD21 ' A' ' 35' ' ' LEU . 1.6 t80 -62.67 -31.47 72.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 111.011 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -74.33 -37.08 48.61 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 1.197 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 0.5 OUTLIER -57.8 -59.75 4.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 0.792 . . . . 0.0 110.955 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 1.081 HD22 ' CE1' ' A' ' 171' ' ' PHE . 9.6 tp -54.81 -42.03 71.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.63 -29.89 71.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.264 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.591 ' HB3' ' HB3' ' A' ' 91' ' ' ALA . 10.8 t -50.04 -59.8 3.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.019 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.05 -44.92 5.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.016 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.579 ' N ' ' O ' ' A' ' 25' ' ' LEU . . . 91.53 89.53 1.42 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.493 ' HB2' HD11 ' A' ' 25' ' ' LEU . 0.5 OUTLIER -80.03 -59.93 2.53 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.906 HG22 ' H ' ' A' ' 34' ' ' GLU . 1.0 OUTLIER -141.87 119.57 11.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.581 1.176 . . . . 0.0 110.417 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -44.65 -59.43 2.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.561 ' O ' ' HB ' ' A' ' 37' ' ' VAL . 64.0 tt0 -59.34 -25.78 64.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.251 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.906 ' H ' HG22 ' A' ' 31' ' ' THR . 2.2 mt-10 -67.85 -62.9 1.2 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 1.105 HD21 ' CD1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -47.53 -39.67 16.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.451 ' O ' ' O ' ' A' ' 40' ' ' ARG . 3.0 tm-20 -70.16 -48.27 58.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.696 HG13 ' CD2' ' A' ' 167' ' ' LEU . 0.3 OUTLIER -67.32 -55.33 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.005 ' HB3' ' CG ' ' A' ' 171' ' ' PHE . 11.8 mt -66.82 -45.48 78.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.841 ' HA3' ' CD2' ' A' ' 22' ' ' PHE . . . -52.15 -47.1 55.89 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.551 1.157 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.451 ' O ' ' O ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER 175.39 131.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 0.78 . . . . 0.0 110.28 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -107.67 139.44 42.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 110.288 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -100.38 125.97 37.58 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -164.41 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.553 1.817 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.1 p -42.74 160.01 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.565 1.166 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 64.24 49.28 2.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.262 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.46 ' O ' ' C ' ' A' ' 47' ' ' TYR . . . -168.91 79.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.489 ' O ' ' C ' ' A' ' 48' ' ' TRP . 14.8 t80 -33.05 101.81 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.489 ' C ' ' O ' ' A' ' 47' ' ' TYR . 24.9 p-90 -34.74 128.0 0.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 108.02 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.692 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -45.06 159.25 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.32 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.692 ' HB2' ' O ' ' A' ' 49' ' ' GLU . . . 161.49 59.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.571 1.169 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 0.4 OUTLIER -178.01 162.7 1.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' A' ' 51' ' ' ASP . 1.9 tp 178.86 60.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -172.04 69.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.324 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.529 ' OD1' HD12 ' A' ' 56' ' ' LEU . 13.8 t70 -147.2 156.39 42.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -156.56 120.7 4.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 110.258 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.529 HD12 ' OD1' ' A' ' 54' ' ' ASP . 0.3 OUTLIER -122.87 171.77 8.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.4 tm0? -175.0 104.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.411 ' CG2' ' N ' ' A' ' 59' ' ' ASP . 4.9 t -86.42 -45.75 10.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.387 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.411 ' N ' ' CG2' ' A' ' 58' ' ' THR . 23.0 t70 -178.4 169.27 1.81 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 172.38 94.72 0.1 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 62.9 p -141.7 78.86 1.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 0.76 . . . . 0.0 110.045 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.31 120.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.276 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -157.3 71.44 0.65 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.15 . . . . 0.0 109.243 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 94.1 p -111.28 107.55 16.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.03 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.53 ' O ' ' CB ' ' A' ' 66' ' ' SER . 1.7 mtt180 -152.06 -57.3 0.14 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.546 1.154 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.53 ' CB ' ' O ' ' A' ' 65' ' ' ARG . 0.9 OUTLIER 156.39 103.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.007 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 34.1 p90 -104.13 157.42 17.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 111.002 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 177.55 90.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -63.63 156.39 26.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -94.94 58.51 1.77 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -95.18 -166.91 1.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 110.242 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.477 HG22 ' N ' ' A' ' 73' ' ' GLU . 12.6 mm -61.02 164.79 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.477 ' N ' HG22 ' A' ' 72' ' ' ILE . 3.0 tt0 -124.05 76.35 59.02 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -165.48 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.499 1.789 . . . . 0.0 111.025 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -93.09 88.67 6.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.5 t -171.14 154.59 4.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.998 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.489 ' O ' ' CB ' ' A' ' 78' ' ' SER . 2.3 tm-20 -168.62 61.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 77' ' ' GLU . 0.5 OUTLIER 160.71 161.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.999 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -174.83 44.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.258 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -176.8 94.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.271 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 177.15 -174.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.572 1.17 . . . . 0.0 110.281 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 22.9 mm -84.56 -20.28 8.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.583 ' O ' HG22 ' A' ' 86' ' ' ILE . 0.6 OUTLIER -52.2 -51.27 32.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.257 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.488 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 41.2 m80 -57.07 -39.66 75.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.598 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.443 ' O ' ' CG ' ' A' ' 88' ' ' ARG . 4.0 t-20 -53.1 -45.36 68.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.583 HG22 ' O ' ' A' ' 83' ' ' ILE . 0.7 OUTLIER -62.51 -39.45 84.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.834 ' HA ' HD23 ' A' ' 20' ' ' LEU . . . -53.43 -55.33 26.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.519 ' O ' ' CB ' ' A' ' 27' ' ' SER . 13.0 ptm180 -66.69 -37.84 85.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 0.0 110.31 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.612 ' CE1' HD11 ' A' ' 93' ' ' ILE . 18.6 t-160 -53.99 -23.22 12.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.61 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 1.155 HD22 HD21 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -59.17 -62.08 2.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 1.197 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -53.96 -53.9 46.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.272 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -48.47 -34.08 10.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.331 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.612 HD11 ' CE1' ' A' ' 89' ' ' HIS . 20.6 mt -71.44 -31.29 42.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 91' ' ' ALA . . . -60.24 -52.87 50.09 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -60.95 -52.35 65.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 0.739 . . . . 0.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -61.92 -39.22 91.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.283 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.565 ' SD ' ' CZ ' ' A' ' 107' ' ' ARG . 6.3 mmt -50.9 -43.95 59.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 111.035 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.421 ' HA ' ' CD1' ' A' ' 101' ' ' ILE . 16.5 t70 -38.17 -30.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.466 ' N ' ' C ' ' A' ' 97' ' ' MET . 57.1 t60 -49.52 -42.61 44.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.598 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.446 ' O ' ' NE ' ' A' ' 107' ' ' ARG . 4.8 m-80 -145.49 88.76 1.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.567 ' O ' ' CB ' ' A' ' 102' ' ' GLN . 10.5 mt -116.38 71.95 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.922 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 0.0 OUTLIER 154.67 51.19 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 110.294 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.922 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.4 Cg_endo -75.0 74.77 3.9 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.507 1.793 . . . . 0.0 111.028 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.695 ' O ' ' CB ' ' A' ' 105' ' ' LEU . 3.2 m 92.4 4.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 110.424 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.792 HD23 ' O ' ' A' ' 105' ' ' LEU . 3.9 tt 105.45 26.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 1.071 HG22 ' CD1' ' A' ' 138' ' ' PHE . 1.3 t -71.6 -83.02 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.903 ' N ' HG12 ' A' ' 106' ' ' VAL . 5.1 mtt-85 -54.03 -17.0 2.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -67.96 -49.43 61.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.322 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 1.272 HD12 ' N ' ' A' ' 110' ' ' ALA . 0.6 OUTLIER -55.3 -55.2 34.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.316 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 1.272 ' N ' HD12 ' A' ' 109' ' ' LEU . . . -48.02 -40.96 24.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.332 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.11 -23.24 67.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.246 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.754 ' CG ' ' O ' ' A' ' 109' ' ' LEU . 5.5 pt20 -56.43 -52.67 63.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 110.332 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 1.193 ' CD2' ' HB2' ' A' ' 130' ' ' ALA . 2.7 p90 -66.28 -38.99 89.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.988 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.716 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 9.2 tpt -51.13 78.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.62 ' N ' ' O ' ' A' ' 113' ' ' PHE . 23.8 p30 -145.61 -162.32 1.49 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 115' ' ' ASN . . . 49.79 177.47 0.02 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.516 ' C ' HD22 ' A' ' 118' ' ' LEU . 0.5 OUTLIER -156.35 73.41 0.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 0.792 . . . . 0.0 109.987 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.686 HD11 ' OD1' ' A' ' 169' ' ' ASP . 1.5 mm? 73.32 89.47 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.483 ' O ' ' CB ' ' A' ' 120' ' ' GLU . 8.2 t -124.45 116.71 22.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.024 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.563 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 2.2 tt0 84.5 -32.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.253 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.563 ' CB ' ' O ' ' A' ' 120' ' ' GLU . 3.1 mm-40 154.56 54.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.312 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.478 ' HA ' HD13 ' A' ' 118' ' ' LEU . 12.0 t0 78.85 152.1 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 124' ' ' ARG . 0.0 OUTLIER -89.12 -100.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.822 ' HA ' HD11 ' A' ' 127' ' ' LEU . 0.5 OUTLIER 85.5 -36.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.582 ' O ' ' CB ' ' A' ' 129' ' ' LYS . 7.6 p30 -69.43 -40.59 77.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.904 ' SG ' HD23 ' A' ' 127' ' ' LEU . 22.4 p -53.41 -52.83 58.1 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 108.333 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.904 HD23 ' SG ' ' A' ' 126' ' ' CYS . 0.0 OUTLIER -57.32 -69.59 0.16 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.452 ' HB1' ' CD ' ' A' ' 180' ' ' GLN . . . -49.45 -29.52 6.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.582 ' CB ' ' O ' ' A' ' 125' ' ' ASN . 0.6 OUTLIER -63.06 -28.67 70.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 1.193 ' HB2' ' CD2' ' A' ' 113' ' ' PHE . . . -68.25 -49.53 60.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.666 ' HA ' ' HE1' ' A' ' 177' ' ' PHE . 0.4 OUTLIER -41.13 -45.45 2.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 1.072 ' O ' HG23 ' A' ' 136' ' ' THR . 2.2 m-20 -66.23 -41.29 90.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.753 ' O ' ' OG1' ' A' ' 136' ' ' THR . 2.7 mm-40 -69.22 -60.75 2.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.292 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 1.078 HG23 ' CE2' ' A' ' 138' ' ' PHE . 0.2 OUTLIER -44.99 -33.66 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.664 ' O ' ' CD ' ' A' ' 139' ' ' PRO . 0.0 OUTLIER -75.86 -45.44 35.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 1.072 HG23 ' O ' ' A' ' 132' ' ' ASP . 25.4 p -53.83 -24.28 15.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.414 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.92 ' HB3' ' CE1' ' A' ' 138' ' ' PHE . . . -100.74 -52.32 3.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 1.078 ' CE2' HG23 ' A' ' 134' ' ' VAL . 0.0 OUTLIER -118.25 62.5 4.68 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 111.012 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.772 ' C ' ' HB2' ' A' ' 144' ' ' ASN . 18.5 Cg_endo -75.0 154.48 42.52 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.529 1.805 . . . . 0.0 111.017 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.745 ' N ' ' CB ' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 157.45 -168.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.681 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 68.9 m-20 -88.89 -103.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . 0.438 ' O ' ' CB ' ' A' ' 146' ' ' LYS . 1.8 mpt? -62.86 -32.02 73.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -67.98 -62.45 1.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . 0.772 ' HB2' ' C ' ' A' ' 139' ' ' PRO . 3.6 t30 -66.85 -57.03 7.81 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.681 ' CB ' ' O ' ' A' ' 141' ' ' ASP . 81.8 m-20 -41.04 -52.23 3.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 142' ' ' MET . 18.8 ttpt -65.86 -31.19 71.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.685 ' HB1' ' HD2' ' A' ' 138' ' ' PHE . . . -61.55 -57.25 12.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . 0.94 ' HE3' HD11 ' A' ' 182' ' ' LEU . 73.9 mtm -50.51 -54.52 21.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 0.0 111.006 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.493 HD12 HG22 ' A' ' 178' ' ' ILE . 0.5 OUTLIER -54.46 -41.82 69.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.553 HG22 ' O ' ' A' ' 147' ' ' ALA . 0.2 OUTLIER -51.65 -32.59 14.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.266 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' MET . . . . . 1.132 ' O ' ' HG ' ' A' ' 154' ' ' LEU . 4.3 mmt -62.73 -55.14 29.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . 0.939 HG23 ' HA ' ' A' ' 174' ' ' THR . 0.6 OUTLIER -39.68 -46.38 1.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 110.397 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' MET . . . . . 0.622 ' O ' ' HB3' ' A' ' 157' ' ' LYS . 2.5 mpp? -70.27 -26.64 63.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 1.132 ' HG ' ' O ' ' A' ' 151' ' ' MET . 0.4 OUTLIER -64.36 -43.79 93.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 109.311 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 1.165 HD11 ' CZ ' ' A' ' 113' ' ' PHE . 0.6 OUTLIER -52.82 -60.87 2.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.773 ' HB1' ' CB ' ' A' ' 160' ' ' ALA . . . -61.48 -53.82 51.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.248 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.693 ' HA ' ' HB2' ' A' ' 161' ' ' SER . 1.1 tptt -48.14 -39.62 21.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . 0.646 ' O ' ' CB ' ' A' ' 162' ' ' HIS . 1.9 mmtt -68.83 -52.78 26.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . 1.093 ' CG2' ' HB3' ' A' ' 163' ' ' ALA . 0.2 OUTLIER -99.21 -70.9 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.773 ' CB ' ' HB1' ' A' ' 156' ' ' ALA . . . -32.75 -32.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . 0.693 ' HB2' ' HA ' ' A' ' 157' ' ' LYS . 0.1 OUTLIER -99.21 -13.41 19.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.998 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . 0.936 ' N ' ' O ' ' A' ' 159' ' ' VAL . 8.1 t-80 -124.35 -36.05 2.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.598 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 1.093 ' HB3' ' CG2' ' A' ' 159' ' ' VAL . . . -115.79 76.65 6.02 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' PRO . . . . . 0.492 ' HD3' ' C ' ' A' ' 162' ' ' HIS . 18.2 Cg_endo -75.0 43.78 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.488 1.783 . . . . 0.0 110.946 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . 0.419 ' H ' ' C ' ' A' ' 163' ' ' ALA . 8.2 t -136.74 33.85 2.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 109.988 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.717 HD12 HG21 ' A' ' 159' ' ' VAL . 6.8 mt -118.6 117.76 29.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . 0.709 ' C ' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -64.37 -142.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.256 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . 0.696 ' HD2' HD13 ' A' ' 167' ' ' LEU . 0.7 OUTLIER -56.4 -8.58 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.31 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . 0.686 ' OD1' HD11 ' A' ' 118' ' ' LEU . 53.2 m-20 -59.47 -58.48 8.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' VAL . . . . . 0.533 HG22 ' HA ' ' A' ' 156' ' ' ALA . 0.4 OUTLIER -65.24 -52.87 47.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . 1.081 ' CE1' HD22 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -54.81 -43.35 72.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 172' ' ' HIS . . . . . 0.637 ' CB ' ' O ' ' A' ' 168' ' ' ARG . 8.6 t-80 -60.59 -35.51 76.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.566 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . 1.075 HG21 ' CB ' ' A' ' 155' ' ' LEU . 78.3 m -54.63 -58.5 7.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.419 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 174' ' ' THR . . . . . 0.939 ' HA ' HG23 ' A' ' 152' ' ' THR . 0.5 OUTLIER -55.36 -58.68 6.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.416 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 175' ' ' VAL . . . . . 1.077 HG21 ' HB ' ' A' ' 21' ' ' VAL . 0.9 OUTLIER -71.38 4.53 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . 0.866 ' HB3' ' O ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -80.73 -58.15 3.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . 0.725 ' CZ ' ' HB2' ' A' ' 151' ' ' MET . 5.4 m-85 -56.96 -51.07 70.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 111.031 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . 1.063 HD12 ' HA ' ' A' ' 175' ' ' VAL . 0.1 OUTLIER -54.83 -46.28 75.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . 0.934 ' H ' HD13 ' A' ' 178' ' ' ILE . 0.6 OUTLIER -62.24 -35.39 78.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 180' ' ' GLN . . . . . 0.814 ' N ' ' OD1' ' A' ' 179' ' ' ASN . 79.5 mm-40 -56.19 -103.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 110.322 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -124.81 4.04 8.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . 0.94 HD11 ' HE3' ' A' ' 148' ' ' MET . 0.3 OUTLIER -96.63 15.08 22.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.263 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 183' ' ' PHE . . . . . 0.706 ' O ' ' CG ' ' A' ' 183' ' ' PHE . 0.2 OUTLIER -35.63 113.58 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 184' ' ' SER . . . . . 0.464 ' C ' ' O ' ' A' ' 183' ' ' PHE . 52.3 m 34.75 75.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.971 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 185' ' ' TYR . . . . . 0.415 ' C ' ' O ' ' A' ' 184' ' ' SER . 2.3 t80 -36.7 -50.36 0.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 186' ' ' VAL . . . . . 0.454 HG13 ' N ' ' A' ' 187' ' ' ARG . 14.7 p -56.65 -48.66 80.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 184' ' ' SER . 4.6 tpt180 -54.54 -44.58 72.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 188' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -53.15 -44.29 67.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 6.6 mt -56.78 -50.92 70.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . 0.448 HG12 ' O ' ' A' ' 187' ' ' ARG . 0.4 OUTLIER -56.61 -47.84 81.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 191' ' ' ARG . . . . . 0.444 ' N ' ' CG1' ' A' ' 190' ' ' VAL . 0.0 OUTLIER -55.33 -45.58 76.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -54.63 -49.25 70.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 51.81 -161.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 194' ' ' MET . . . . . . . . . . . . . 2.3 tmm? -136.95 77.91 1.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 111.022 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 15.7 t70 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.984 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.546 ' O ' ' CB ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.465 0.174 . . . . 0.0 111.044 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.546 ' CB ' ' O ' ' A' ' 1' ' ' MET . 0.1 OUTLIER 85.21 14.48 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -49.09 -60.79 2.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.057 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -107.24 159.12 16.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 32.6 m -129.22 166.76 26.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.353 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -159.96 92.15 1.0 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.034 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 26.1 p30 -163.5 149.09 11.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 122.29 79.01 0.48 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.453 1.096 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.7 t -132.06 96.95 4.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 109.964 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -89.71 123.68 7.04 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.502 1.126 . . . . 0.0 111.015 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.96 149.72 36.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 0.761 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -52.95 143.86 24.26 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.55 1.156 . . . . 0.0 111.011 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.417 ' O ' ' HD3' ' A' ' 14' ' ' LYS . . . -67.51 173.03 4.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.778 . . . . 0.0 109.35 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.417 ' HD3' ' O ' ' A' ' 13' ' ' ALA . 28.9 mmtt -133.99 113.76 12.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 63.6 t60 -62.96 -49.79 73.36 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.559 1.162 . . . . 0.0 109.607 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.591 HG21 ' CZ ' ' A' ' 183' ' ' PHE . 0.2 OUTLIER -53.85 -51.38 45.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 1.06 HG21 ' N ' ' A' ' 179' ' ' ASN . 3.5 m -53.59 -46.61 70.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.364 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.99 -40.06 21.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.3 OUTLIER -67.42 -27.79 67.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.028 ' CD2' HD22 ' A' ' 90' ' ' LEU . 1.4 tm? -63.81 -44.95 91.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.949 ' HB ' HG21 ' A' ' 175' ' ' VAL . 0.5 OUTLIER -61.47 -62.23 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 1.115 ' CE2' HD21 ' A' ' 35' ' ' LEU . 10.6 t80 -61.09 -33.93 74.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -77.29 -35.65 37.08 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.496 1.123 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 1.178 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 2.2 t80 -51.83 -58.85 5.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 0.79 . . . . 0.0 110.982 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 1.159 HD22 ' CE1' ' A' ' 171' ' ' PHE . 0.3 OUTLIER -58.0 -43.36 86.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -54.17 -31.95 54.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.513 ' OG ' ' HG2' ' A' ' 88' ' ' ARG . 25.8 t -69.04 -97.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 110.034 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -140.96 20.06 2.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.572 1.17 . . . . 0.0 109.993 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.609 ' HA3' ' CE1' ' A' ' 24' ' ' PHE . . . -58.0 -108.66 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.435 1.084 . . . . 0.0 110.988 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.551 ' H ' HD12 ' A' ' 25' ' ' LEU . 33.0 t -84.36 -96.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.512 ' O ' ' N ' ' A' ' 34' ' ' GLU . 7.4 m -141.88 151.31 42.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.411 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.61 -54.67 3.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 110.343 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.424 ' O ' ' HB ' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -58.67 -26.1 63.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.646 ' C ' HD23 ' A' ' 25' ' ' LEU . 2.9 tp10 -66.54 -56.88 8.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 110.314 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 1.115 HD21 ' CE2' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -44.27 -39.33 4.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.366 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 1.101 ' N ' HD13 ' A' ' 35' ' ' LEU . 27.8 tt0 -77.62 -40.16 42.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.819 HG13 HD23 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -61.29 -57.73 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.059 ' HB2' ' CD2' ' A' ' 171' ' ' PHE . 8.4 mt -72.49 -39.26 67.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.765 ' HA3' ' CD1' ' A' ' 22' ' ' PHE . . . -50.7 -52.21 30.4 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.5 1.125 . . . . 0.0 111.048 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.435 ' HD3' ' CE1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER 174.41 139.63 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 0.772 . . . . 0.0 110.25 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -140.11 98.35 3.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.462 HD13 ' HD2' ' A' ' 43' ' ' PRO . 3.0 mm? -101.31 141.34 22.41 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.466 ' O ' ' N ' ' A' ' 45' ' ' GLN . 18.3 Cg_endo -75.02 173.08 15.12 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.538 1.809 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.702 ' O ' HG13 ' A' ' 44' ' ' VAL . 8.6 p -55.91 87.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 43' ' ' PRO . 0.0 OUTLIER 166.33 43.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.319 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 47' ' ' TYR . . . 179.66 176.96 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.504 ' O ' ' HB2' ' A' ' 48' ' ' TRP . 53.9 t80 -33.93 124.23 0.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.423 1.077 . . . . 0.0 110.963 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.504 ' HB2' ' O ' ' A' ' 47' ' ' TYR . 2.5 t90 176.72 -60.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 108.006 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.698 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 0.0 OUTLIER 77.02 -179.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.698 ' HB2' ' O ' ' A' ' 49' ' ' GLU . . . 160.66 97.66 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -44.42 153.31 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.432 HD22 ' HA ' ' A' ' 52' ' ' LEU . 0.3 OUTLIER -178.78 76.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -118.79 171.97 7.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 110.312 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -122.9 107.88 12.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -127.1 138.9 53.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.333 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 tp -167.44 -65.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 65.87 102.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.9 t -93.34 129.57 39.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.411 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -173.1 122.92 0.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.98 -160.26 54.0 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.52 1.138 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 83.1 p -87.93 168.07 13.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 109.99 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.419 ' NE2' ' NH1' ' A' ' 65' ' ' ARG . 1.5 tp60 -169.71 124.61 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.322 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.65 -65.98 0.61 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.25 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.0 p -177.21 163.79 2.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.982 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.46 ' O ' ' CB ' ' A' ' 66' ' ' SER . 1.7 mtp180 -146.52 164.59 32.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 65' ' ' ARG . 0.3 OUTLIER 162.98 164.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 110.02 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -155.26 162.46 40.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 37.4 m-20 -132.04 152.38 51.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.157 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.87 170.63 17.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 110.285 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -136.85 172.42 22.59 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -121.84 106.74 11.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 0.786 . . . . 0.0 110.303 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 21.1 mm -118.38 150.45 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.335 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -98.23 114.11 64.79 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.348 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 160.25 40.25 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.48 1.779 . . . . 0.0 111.009 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -75.17 117.58 17.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.3 p -68.07 171.02 7.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.986 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -152.66 173.25 15.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.3 p -113.37 171.42 7.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.999 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -89.11 177.85 6.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.272 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.58 92.53 4.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -168.82 150.44 4.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 110.332 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 9.0 mt -88.52 -42.65 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.63 ' O ' HG22 ' A' ' 86' ' ' ILE . 46.8 mm -53.74 -56.95 6.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.542 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 95.8 m-70 -54.16 -36.5 63.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.576 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -55.56 -45.92 77.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.63 HG22 ' O ' ' A' ' 83' ' ' ILE . 1.8 tp -62.55 -35.4 69.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.012 ' HA ' HD23 ' A' ' 20' ' ' LEU . . . -54.8 -47.53 73.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.513 ' HG2' ' OG ' ' A' ' 27' ' ' SER . 2.0 ttm-85 -65.02 -51.99 58.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.118 . . . . 0.0 110.312 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -59.35 -14.3 11.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.607 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 1.028 HD22 ' CD2' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -63.35 -68.07 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 1.178 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -52.42 -52.54 53.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -49.57 -32.1 11.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 110.315 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.483 ' O ' ' HB2' ' A' ' 97' ' ' MET . 0.3 OUTLIER -69.03 -35.74 70.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -60.57 -51.65 57.41 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.452 1.095 . . . . 0.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.416 ' HA ' ' HE2' ' A' ' 157' ' ' LYS . 22.0 t70 -56.81 -51.79 67.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 0.768 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 99' ' ' HIS . 2.4 mm-40 -63.45 -38.48 91.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.621 ' CE ' HD11 ' A' ' 150' ' ' ILE . 0.0 OUTLIER -50.63 -38.4 45.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.471 ' HB2' ' CE ' ' A' ' 157' ' ' LYS . 28.6 t70 -47.47 -50.73 22.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.429 ' HB2' ' O ' ' A' ' 96' ' ' GLU . 0.8 OUTLIER -43.25 -37.94 2.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.576 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 97' ' ' MET . 0.4 OUTLIER -146.88 87.14 1.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.893 HD12 ' HB2' ' A' ' 107' ' ' ARG . 0.1 OUTLIER -132.92 97.73 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.547 1.155 . . . . 0.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.951 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 6.4 mt-30 158.94 47.48 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.951 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.2 Cg_endo -74.99 71.21 5.08 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.5 1.79 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.657 ' CB ' ' O ' ' A' ' 103' ' ' PRO . 3.5 m 93.93 5.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.44 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.651 ' CB ' ' O ' ' A' ' 104' ' ' THR . 0.3 OUTLIER 101.14 28.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 1.305 HG22 ' CD2' ' A' ' 138' ' ' PHE . 0.9 OUTLIER -62.33 -70.56 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.893 ' HB2' HD12 ' A' ' 101' ' ' ILE . 0.0 OUTLIER -50.8 -40.6 55.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.499 ' HB3' ' CD2' ' A' ' 105' ' ' LEU . 2.8 tp60 -62.4 -26.07 68.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.823 ' C ' HD13 ' A' ' 109' ' ' LEU . 0.9 OUTLIER -64.13 -73.46 0.12 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 1.07 ' O ' ' CD2' ' A' ' 113' ' ' PHE . . . -50.31 -34.15 22.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.06 -26.03 65.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 109' ' ' LEU . 0.5 OUTLIER -53.13 -60.11 3.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.281 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 1.194 ' CD2' ' HB2' ' A' ' 130' ' ' ALA . 4.3 p90 -57.36 -42.7 82.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 111.052 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.893 ' CG ' HD23 ' A' ' 155' ' ' LEU . 0.0 OUTLIER -52.14 85.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.577 1.173 . . . . 0.0 111.022 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 113' ' ' PHE . 11.4 m-20 -141.76 -69.59 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -93.53 173.59 34.08 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.639 ' O ' ' HB2' ' A' ' 118' ' ' LEU . 0.4 OUTLIER -84.49 -91.47 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 0.77 . . . . 0.0 109.958 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.743 HD12 ' O ' ' A' ' 122' ' ' ASP . 3.1 tm? 170.23 -72.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.556 ' O ' ' N ' ' A' ' 121' ' ' GLU . 27.0 t -142.34 178.67 7.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 110.035 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.473 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 2.7 mm-40 -45.19 -13.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.433 1.083 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.556 ' N ' ' O ' ' A' ' 119' ' ' SER . 0.1 OUTLIER 162.47 74.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.288 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.743 ' O ' HD12 ' A' ' 118' ' ' LEU . 18.9 t70 -161.11 60.17 0.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.422 ' O ' ' CB ' ' A' ' 124' ' ' ARG . 0.1 OUTLIER -92.15 140.64 29.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.802 ' HA ' HD11 ' A' ' 127' ' ' LEU . 9.3 ttt-85 163.12 -30.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.324 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.542 ' O ' ' CB ' ' A' ' 129' ' ' LYS . 15.2 m120 -69.96 -44.93 68.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.349 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.615 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 0.5 OUTLIER -52.83 -56.76 13.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 108.314 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.872 HD12 ' HB3' ' A' ' 176' ' ' ASN . 0.0 OUTLIER -54.9 -70.11 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -47.4 -30.67 3.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.615 ' HB2' ' O ' ' A' ' 126' ' ' CYS . 38.7 mttt -58.81 -31.61 68.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 1.194 ' HB2' ' CD2' ' A' ' 113' ' ' PHE . . . -73.44 -45.26 55.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.708 ' N ' ' CZ ' ' A' ' 177' ' ' PHE . 0.3 OUTLIER -42.19 -44.85 3.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.974 ' O ' ' HB ' ' A' ' 136' ' ' THR . 1.2 m-20 -68.08 -50.53 54.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.806 ' HB3' HD21 ' A' ' 109' ' ' LEU . 0.3 OUTLIER -54.81 -61.18 2.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 1.121 HG23 ' CE2' ' A' ' 138' ' ' PHE . 0.2 OUTLIER -52.92 -40.43 36.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.526 ' HG2' ' O ' ' A' ' 135' ' ' LYS . 0.1 OUTLIER -85.06 11.06 10.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.974 ' HB ' ' O ' ' A' ' 132' ' ' ASP . 0.6 OUTLIER -126.14 -16.91 5.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.392 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.601 ' HB3' ' CD1' ' A' ' 138' ' ' PHE . . . -101.57 -51.68 3.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 1.305 ' CD2' HG22 ' A' ' 106' ' ' VAL . 0.1 OUTLIER -125.39 59.8 27.1 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 111.038 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.565 ' HA ' ' HB2' ' A' ' 144' ' ' ASN . 18.4 Cg_endo -74.92 159.9 41.04 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.485 1.782 . . . . 0.0 111.019 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.835 ' C ' ' ND2' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 172.48 -142.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 110.275 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.643 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 81.9 m-20 -108.72 -103.89 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . 0.494 ' CB ' ' OH ' ' A' ' 185' ' ' TYR . 6.6 ttm -70.17 -31.9 69.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' A' ' 146' ' ' LYS . 5.9 tt0 -66.76 -60.59 2.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . 0.97 ' ND2' ' H ' ' A' ' 145' ' ' ASP . 0.1 OUTLIER -65.81 -53.6 37.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.97 ' H ' ' ND2' ' A' ' 144' ' ' ASN . 36.0 m-20 -40.83 -55.76 2.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.435 ' HG3' ' N ' ' A' ' 147' ' ' ALA . 5.6 ptpt -62.68 -31.81 72.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.597 ' HB3' ' O ' ' A' ' 144' ' ' ASN . . . -61.14 -55.04 36.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . 0.705 ' HA ' ' HG2' ' A' ' 151' ' ' MET . 1.2 mtp -49.43 -55.37 13.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.743 HD11 HD11 ' A' ' 90' ' ' LEU . 7.2 tt -53.95 -44.04 70.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.575 1.172 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.788 HG21 HD11 ' A' ' 101' ' ' ILE . 50.8 mt -53.72 -31.95 20.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' MET . . . . . 0.801 ' HB2' ' CE2' ' A' ' 177' ' ' PHE . 0.1 OUTLIER -56.05 -56.0 26.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . 0.868 ' HB ' ' HA ' ' A' ' 174' ' ' THR . 27.7 p -56.21 -52.07 65.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 110.396 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' MET . . . . . 0.866 ' HE1' HD11 ' A' ' 20' ' ' LEU . 10.4 mmt -65.98 -21.39 66.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 1.08 ' C ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -60.79 -60.44 3.79 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 1.055 HD21 ' CZ ' ' A' ' 113' ' ' PHE . 4.9 mp -50.35 -46.22 55.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 1.143 ' O ' ' O ' ' A' ' 159' ' ' VAL . . . -62.55 -54.09 45.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.477 ' CD ' ' C ' ' A' ' 157' ' ' LYS . 0.1 OUTLIER -46.32 -50.85 15.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . 0.801 ' HG3' HG23 ' A' ' 159' ' ' VAL . 18.5 ptmt -74.62 -52.74 10.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . 1.143 ' O ' ' O ' ' A' ' 156' ' ' ALA . 87.7 t -92.97 159.47 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.988 ' HB3' HG11 ' A' ' 170' ' ' VAL . . . 64.62 -53.75 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . 0.591 ' N ' ' O ' ' A' ' 159' ' ' VAL . 0.1 OUTLIER -86.18 -11.08 53.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.021 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . 0.622 ' CB ' ' O ' ' A' ' 158' ' ' LYS . 0.0 OUTLIER -148.55 -36.06 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.597 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 1.017 ' HB3' ' HA ' ' A' ' 159' ' ' VAL . . . -113.67 94.65 33.66 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 58.77 4.98 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.529 1.805 . . . . 0.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . 0.566 ' O ' HD22 ' A' ' 166' ' ' LEU . 75.6 p -102.88 -69.25 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.003 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.566 HD22 ' O ' ' A' ' 165' ' ' SER . 3.7 mm? -124.05 63.87 1.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . 0.996 ' HB2' HD21 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -50.64 -28.85 9.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . 0.687 ' H ' HD12 ' A' ' 167' ' ' LEU . 0.1 OUTLIER -62.64 -50.6 70.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . 0.641 ' N ' ' HG3' ' A' ' 168' ' ' ARG . 6.8 t70 -65.98 -33.41 75.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' VAL . . . . . 0.988 HG11 ' HB3' ' A' ' 160' ' ' ALA . 1.0 OUTLIER -56.79 -65.36 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . 1.159 ' CE1' HD22 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -48.51 -52.38 22.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 172' ' ' HIS . . . . . 0.651 ' O ' ' OD1' ' A' ' 176' ' ' ASN . 1.9 t60 -65.15 -24.49 67.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 109.587 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . 1.255 ' C ' ' OD1' ' A' ' 176' ' ' ASN . 1.4 m -76.32 -7.32 54.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.398 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 174' ' ' THR . . . . . 0.999 ' OG1' ' O ' ' A' ' 171' ' ' PHE . 0.6 OUTLIER -94.58 -58.42 2.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 110.417 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 175' ' ' VAL . . . . . 0.949 HG21 ' HB ' ' A' ' 21' ' ' VAL . 5.0 t -75.18 26.03 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.339 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . 1.255 ' OD1' ' C ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -85.96 -65.64 0.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.295 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . 0.839 ' HZ ' ' HB3' ' A' ' 130' ' ' ALA . 2.3 m-30 -61.27 -53.82 51.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.542 1.151 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . 0.768 HD12 ' O ' ' A' ' 174' ' ' THR . 1.5 mt -52.28 -43.39 39.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . 1.06 ' N ' HG21 ' A' ' 17' ' ' THR . 6.7 t-20 -66.28 -38.55 88.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 180' ' ' GLN . . . . . 0.578 ' O ' ' O ' ' A' ' 179' ' ' ASN . 1.5 tt0 -41.37 -104.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.27 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.447 ' CB ' ' NE2' ' A' ' 180' ' ' GLN . 58.9 t30 -129.81 3.44 4.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . 0.605 ' CD2' ' CE ' ' A' ' 148' ' ' MET . 0.8 OUTLIER -93.49 16.36 13.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.342 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 183' ' ' PHE . . . . . 0.591 ' CZ ' HG21 ' A' ' 16' ' ' ILE . 49.2 t80 -29.0 95.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 110.997 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 184' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 187' ' ' ARG . 3.9 t 58.14 88.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.994 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 185' ' ' TYR . . . . . 0.497 ' C ' ' CD1' ' A' ' 185' ' ' TYR . 0.3 OUTLIER -35.56 -44.03 0.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 186' ' ' VAL . . . . . . . . . . . . . 43.9 t -56.46 -52.42 52.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.482 ' N ' ' O ' ' A' ' 184' ' ' SER . 8.3 tpt180 -54.77 -44.11 73.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 188' ' ' ASN . . . . . 0.502 ' O ' ' HG3' ' A' ' 191' ' ' ARG . 0.1 OUTLIER -53.43 -40.04 64.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 9.8 tp -65.69 -43.97 87.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.25 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 73.5 t -60.35 -57.09 13.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 109.299 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 191' ' ' ARG . . . . . 0.502 ' HG3' ' O ' ' A' ' 188' ' ' ASN . 0.0 OUTLIER -60.72 -43.71 97.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 192' ' ' ASN . . . . . 0.488 ' N ' ' CD ' ' A' ' 191' ' ' ARG . 35.2 t-20 -54.62 -44.36 73.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -62.21 149.18 42.43 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 110.298 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 194' ' ' MET . . . . . 0.416 ' SD ' ' N ' ' A' ' 195' ' ' ASP . 0.0 OUTLIER -39.7 124.03 1.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.99 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 195' ' ' ASP . . . . . 0.416 ' N ' ' SD ' ' A' ' 194' ' ' MET . 1.5 p30 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.486 0.184 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -179.14 155.57 0.73 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.92 162.26 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.003 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -178.77 154.64 0.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.2 p -171.83 150.7 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.56 157.33 0.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.002 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 176.98 162.69 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 159.33 136.78 2.1 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.531 1.144 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.5 p -150.56 158.54 44.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 110.021 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.75 125.09 0.74 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.509 1.13 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -174.99 154.48 1.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 0.789 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.42 150.22 5.24 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.5 1.125 . . . . 0.0 111.041 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -92.57 -47.67 7.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 0.771 . . . . 0.0 109.351 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.471 ' O ' ' HB ' ' A' ' 17' ' ' THR . 1.0 OUTLIER -71.67 68.92 0.62 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.547 1.154 . . . . 0.0 109.273 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -62.89 -43.99 97.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.61 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.573 HD12 HG12 ' A' ' 83' ' ' ILE . 15.3 mm -55.1 -40.52 55.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.802 HG23 HG13 ' A' ' 175' ' ' VAL . 1.1 m -55.48 -75.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.356 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.463 ' N ' HG22 ' A' ' 17' ' ' THR . 1.0 OUTLIER -49.78 -34.69 20.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.677 HD21 ' HA ' ' A' ' 84' ' ' HIS . 1.2 tp -58.02 -33.58 69.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.114 ' CD2' HD22 ' A' ' 90' ' ' LEU . 1.0 OUTLIER -65.55 -43.39 90.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.906 ' HB ' HG21 ' A' ' 175' ' ' VAL . 0.5 OUTLIER -62.99 -62.96 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.727 ' CE1' ' HB3' ' A' ' 35' ' ' LEU . 3.6 t80 -64.65 -30.89 71.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 111.023 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.557 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -72.24 -41.88 51.87 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 1.226 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 0.3 OUTLIER -53.89 -52.46 60.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 0.724 . . . . 0.0 111.014 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 1.035 HD22 ' CE1' ' A' ' 171' ' ' PHE . 3.0 tp -56.24 -43.21 78.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.577 ' CA ' HD21 ' A' ' 35' ' ' LEU . 0.4 OUTLIER -55.51 -36.62 66.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.269 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.546 ' OG ' ' O ' ' A' ' 88' ' ' ARG . 0.2 OUTLIER -60.38 -62.3 1.96 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.579 ' O ' ' C ' ' A' ' 29' ' ' GLY . 0.5 OUTLIER -142.5 -71.58 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.967 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.769 ' HA3' HD12 ' A' ' 25' ' ' LEU . . . 21.35 -120.47 0.01 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.536 1.148 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.685 ' HB3' ' CB ' ' A' ' 34' ' ' GLU . 44.7 t -99.28 -110.37 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.515 ' H ' ' HB2' ' A' ' 34' ' ' GLU . 15.3 t -141.85 175.98 9.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.416 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.532 ' HA ' HD13 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -47.18 -52.95 14.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 110.277 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.723 ' O ' HG23 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -50.16 -32.05 15.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.265 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.685 ' CB ' ' HB3' ' A' ' 30' ' ' CYS . 0.7 OUTLIER -67.75 -53.3 28.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.789 ' HG ' ' HB3' ' A' ' 25' ' ' LEU . 6.4 mp -44.94 -37.25 3.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -65.76 -49.43 68.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 33' ' ' GLN . 2.0 t -63.85 -60.52 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.98 HD21 ' HG ' ' A' ' 167' ' ' LEU . 9.0 mt -64.98 -45.71 84.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.664 ' HA3' ' O ' ' A' ' 35' ' ' LEU . . . -49.73 -45.19 39.39 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.526 1.141 . . . . 0.0 110.979 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -52.69 99.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 0.771 . . . . 0.0 110.277 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -138.34 141.9 39.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.336 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.426 ' CD1' ' HD2' ' A' ' 43' ' ' PRO . 3.3 mm? -99.1 141.51 22.99 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.426 ' HD2' ' CD1' ' A' ' 42' ' ' LEU . 18.5 Cg_endo -74.95 59.64 5.2 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.461 1.769 . . . . 0.0 111.068 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.664 HG22 ' H ' ' A' ' 45' ' ' GLN . 1.3 p -57.45 -163.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.664 ' H ' HG22 ' A' ' 44' ' ' VAL . 5.6 mt-30 160.45 127.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.27 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.468 ' O ' ' C ' ' A' ' 47' ' ' TYR . . . -128.14 160.84 30.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.627 ' O ' ' CG ' ' A' ' 48' ' ' TRP . 19.6 t80 -32.33 -66.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 111.017 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.627 ' CG ' ' O ' ' A' ' 47' ' ' TYR . 3.9 m0 151.94 -176.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 108.015 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.651 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 2.7 mm-40 -152.38 -172.98 4.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.242 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.651 ' HB2' ' O ' ' A' ' 49' ' ' GLU . . . 165.91 166.76 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 2.8 p-10 -178.25 169.17 1.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 51' ' ' ASP . 1.3 tp 178.48 147.13 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -147.19 -54.88 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 110.315 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 68.78 161.96 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 175.85 157.67 0.23 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.341 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -145.08 165.62 27.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.9 119.54 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.3 p -87.47 -170.87 3.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 110.404 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 167.03 156.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 171.02 168.79 33.23 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 110.969 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.42 -72.39 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 110.036 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -173.98 119.4 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.332 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -168.0 -71.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 92.0 p 53.6 40.23 31.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.013 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.564 ' O ' ' CB ' ' A' ' 66' ' ' SER . 6.3 mtt85 -138.48 92.9 2.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 110.281 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.564 ' CB ' ' O ' ' A' ' 65' ' ' ARG . 0.6 OUTLIER 154.92 143.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.004 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -128.26 -177.08 4.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.429 ' O ' ' CB ' ' A' ' 69' ' ' GLN . 0.9 OUTLIER -157.15 170.28 22.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.255 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.429 ' CB ' ' O ' ' A' ' 68' ' ' ASN . 1.5 mm-40 165.92 162.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 153.27 104.31 0.25 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.521 1.138 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 -121.38 95.29 4.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 0.787 . . . . 0.0 110.279 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 7.5 pt -113.15 148.62 15.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -146.81 87.58 6.26 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.282 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 170.96 19.28 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.482 1.78 . . . . 0.0 111.013 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -179.58 133.49 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.142 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.4 p 173.22 -175.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.0 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -176.49 156.48 1.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 110.287 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.68 152.37 0.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.99 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.405 ' O ' ' CB ' ' A' ' 80' ' ' GLU . 13.9 mt-30 -155.24 167.96 28.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.312 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.683 ' O ' HG22 ' A' ' 83' ' ' ILE . 0.2 OUTLIER 166.95 -171.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 110.254 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.0 -16.91 64.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 110.331 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 7.9 pt -67.8 -9.13 10.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.683 HG22 ' O ' ' A' ' 80' ' ' GLU . 2.4 tt -50.86 -48.5 28.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.677 ' HA ' HD21 ' A' ' 19' ' ' LEU . 13.5 m-70 -62.47 -47.25 84.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.613 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -51.67 -42.35 62.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.499 ' CG1' ' HB3' ' A' ' 189' ' ' LEU . 0.8 OUTLIER -61.51 -39.8 84.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.766 ' HB1' ' HA ' ' A' ' 20' ' ' LEU . . . -50.32 -47.65 55.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.568 HH21 ' HB3' ' A' ' 84' ' ' HIS . 1.0 OUTLIER -66.0 -37.07 84.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.519 ' CD2' HG12 ' A' ' 93' ' ' ILE . 13.0 t-80 -54.18 -25.24 21.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.621 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 1.114 HD22 ' CD2' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -55.54 -63.52 1.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 1.226 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -55.76 -56.19 23.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.93 -31.81 7.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.519 HG12 ' CD2' ' A' ' 89' ' ' HIS . 1.0 OUTLIER -70.53 -31.41 46.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.609 ' HA2' ' CE ' ' A' ' 153' ' ' MET . . . -61.73 -52.59 49.71 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.124 . . . . 0.0 110.965 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -58.97 -52.58 65.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 0.751 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.43 -38.74 90.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.97 ' HB3' HD12 ' A' ' 101' ' ' ILE . 2.8 mmt -50.54 -41.64 54.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 97' ' ' MET . 39.0 t0 -38.92 -29.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.478 ' N ' ' C ' ' A' ' 97' ' ' MET . 62.7 t60 -39.14 -64.1 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.597 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -144.21 89.66 2.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 1.164 HD11 ' CG2' ' A' ' 150' ' ' ILE . 1.5 tt -128.44 84.7 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.851 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 0.8 OUTLIER 151.72 54.12 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.851 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.3 Cg_endo -74.98 10.07 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.508 1.794 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.719 ' O ' ' CB ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER 165.96 4.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.349 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.719 ' CB ' ' O ' ' A' ' 104' ' ' THR . 0.8 OUTLIER 108.77 39.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 1.07 HG22 ' CD1' ' A' ' 138' ' ' PHE . 1.8 t -69.4 -83.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.855 ' N ' HG12 ' A' ' 106' ' ' VAL . 0.8 OUTLIER -52.95 -29.95 31.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.299 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.534 ' HB3' ' HG ' ' A' ' 105' ' ' LEU . 1.9 tt0 -65.55 -32.12 73.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.274 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 1.368 HD12 ' N ' ' A' ' 110' ' ' ALA . 0.0 OUTLIER -64.17 -58.89 5.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 1.368 ' N ' HD12 ' A' ' 109' ' ' LEU . . . -47.83 -49.2 29.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.512 ' HB2' HD11 ' A' ' 154' ' ' LEU . . . -62.6 -19.79 64.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.919 ' NE2' HD13 ' A' ' 109' ' ' LEU . 3.2 pt20 -57.76 -48.0 80.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.27 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 1.17 ' CD2' ' O ' ' A' ' 110' ' ' ALA . 3.8 p90 -64.93 -38.61 91.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.822 ' HG3' HD23 ' A' ' 155' ' ' LEU . 8.4 ttp -48.35 118.23 2.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -110.48 -152.49 0.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.36 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -114.1 -40.09 1.0 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 118' ' ' LEU . 0.3 OUTLIER -156.91 70.18 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 0.765 . . . . 0.0 110.0 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.676 HD13 ' HB2' ' A' ' 119' ' ' SER . 0.2 OUTLIER -37.62 -63.23 0.47 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.676 ' HB2' HD13 ' A' ' 118' ' ' LEU . 0.6 OUTLIER -142.08 72.04 1.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.007 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.554 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 31.9 mt-10 68.59 -24.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.285 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.627 ' H ' ' C ' ' A' ' 119' ' ' SER . 0.6 OUTLIER 155.63 64.06 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 0.0 110.307 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.597 ' O ' HD12 ' A' ' 118' ' ' LEU . 3.1 m-20 -129.57 51.58 2.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.506 ' CB ' ' OD1' ' A' ' 169' ' ' ASP . 0.0 OUTLIER -87.6 83.87 7.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.637 ' HA ' HD11 ' A' ' 127' ' ' LEU . 54.1 mtt-85 -143.3 -49.97 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.34 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.473 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 60.8 t30 -70.53 -39.71 73.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 17.6 m -50.62 -56.52 11.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 108.316 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.87 ' HA ' ' CZ ' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -50.58 -67.37 0.26 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.128 . . . . 0.0 109.285 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -45.77 -30.65 1.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' A' ' 125' ' ' ASN . 0.5 OUTLIER -63.51 -26.31 68.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 1.113 ' HB2' ' CD2' ' A' ' 113' ' ' PHE . . . -72.02 -48.68 42.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.694 ' N ' ' CZ ' ' A' ' 177' ' ' PHE . 0.2 OUTLIER -42.53 -44.96 4.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 1.033 ' O ' HG23 ' A' ' 136' ' ' THR . 0.2 OUTLIER -67.39 -40.65 85.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.888 ' O ' ' OG1' ' A' ' 136' ' ' THR . 56.8 mt-10 -68.91 -62.87 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 110.335 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 1.142 HG23 ' CD2' ' A' ' 138' ' ' PHE . 0.1 OUTLIER -42.45 -33.53 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.573 ' O ' ' CD ' ' A' ' 139' ' ' PRO . 0.0 OUTLIER -75.39 -42.76 53.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 1.033 HG23 ' O ' ' A' ' 132' ' ' ASP . 22.8 p -52.18 -28.13 17.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.437 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.864 ' HB3' ' CE1' ' A' ' 138' ' ' PHE . . . -102.42 -52.73 3.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 1.142 ' CD2' HG23 ' A' ' 134' ' ' VAL . 0.0 OUTLIER -120.58 69.29 16.01 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.758 ' CA ' ' HB2' ' A' ' 144' ' ' ASN . 18.3 Cg_endo -75.01 -172.89 1.38 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.467 1.772 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.729 ' CB ' ' O ' ' A' ' 139' ' ' PRO . 1.3 mtm-85 107.1 -174.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.728 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 0.1 OUTLIER -91.17 -98.77 0.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . 0.479 ' HA ' ' CE2' ' A' ' 185' ' ' TYR . 0.0 OUTLIER -48.15 -33.94 9.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 111.001 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . 0.469 ' CB ' ' HD2' ' A' ' 140' ' ' ARG . 0.5 OUTLIER -71.92 -66.72 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.261 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . 0.788 ' HB2' ' O ' ' A' ' 138' ' ' PHE . 0.7 OUTLIER -73.26 -58.55 3.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.728 ' CB ' ' O ' ' A' ' 141' ' ' ASP . 10.4 t0 -34.84 -52.46 0.54 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.563 ' NZ ' HD21 ' A' ' 189' ' ' LEU . 0.0 OUTLIER -71.64 -36.8 70.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.72 ' HA ' HD12 ' A' ' 150' ' ' ILE . . . -63.06 -57.29 11.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . 0.859 ' HG3' ' N ' ' A' ' 149' ' ' LEU . 0.1 OUTLIER -50.75 -47.08 59.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.859 ' N ' ' HG3' ' A' ' 148' ' ' MET . 1.0 OUTLIER -54.26 -39.19 66.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 1.164 ' CG2' HD11 ' A' ' 101' ' ' ILE . 42.1 mt -59.56 -33.56 52.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.336 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' MET . . . . . 0.839 ' O ' HD12 ' A' ' 155' ' ' LEU . 2.3 mmm -55.84 -54.15 48.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . 0.967 HG21 ' HB2' ' A' ' 177' ' ' PHE . 30.9 p -54.13 -52.45 61.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.413 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' MET . . . . . 0.741 ' CE ' HG23 ' A' ' 150' ' ' ILE . 6.5 tmm? -60.68 -29.65 69.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 0.0 111.038 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 1.105 ' C ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -55.12 -55.7 28.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.348 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 1.074 HD21 ' CZ ' ' A' ' 113' ' ' PHE . 4.8 mp -51.07 -47.03 61.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 1.1 ' O ' ' O ' ' A' ' 159' ' ' VAL . . . -65.14 -53.73 40.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.66 -51.95 11.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . 0.863 ' O ' ' N ' ' A' ' 163' ' ' ALA . 28.8 mmmt -76.01 -51.31 12.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . 1.1 ' O ' ' O ' ' A' ' 156' ' ' ALA . 48.0 t -92.59 154.38 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.809 ' CB ' HG11 ' A' ' 170' ' ' VAL . . . 69.77 -48.91 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . 0.474 ' H ' ' C ' ' A' ' 159' ' ' VAL . 0.3 OUTLIER -93.85 -8.44 40.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.994 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . 0.57 ' CB ' ' O ' ' A' ' 158' ' ' LYS . 0.2 OUTLIER -153.88 -36.27 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.596 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 0.968 ' HB3' ' HA ' ' A' ' 159' ' ' VAL . . . -112.6 97.34 40.32 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 45.58 1.37 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.46 1.769 . . . . 0.0 110.982 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 1.2 m -103.8 -34.05 8.69 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.96 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 1.026 HD12 HG11 ' A' ' 159' ' ' VAL . 0.1 OUTLIER -133.87 92.42 2.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . 0.98 ' HG ' HD21 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -75.68 -80.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.319 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . 0.626 ' HA ' ' HA ' ' A' ' 38' ' ' LEU . 2.8 ptt180 -53.85 -38.76 65.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 0.0 110.329 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . 0.506 ' OD1' ' CB ' ' A' ' 123' ' ' LYS . 0.3 OUTLIER -60.16 -42.02 94.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' VAL . . . . . 0.809 HG11 ' CB ' ' A' ' 160' ' ' ALA . 1.1 t -53.32 -56.33 8.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . 1.035 ' CE1' HD22 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -51.22 -53.85 31.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 172' ' ' HIS . . . . . 0.55 ' O ' ' CB ' ' A' ' 176' ' ' ASN . 37.0 t-80 -51.42 -26.43 7.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.625 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . 0.929 HG21 ' HB2' ' A' ' 155' ' ' LEU . 1.0 OUTLIER -61.25 -59.08 5.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.414 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 174' ' ' THR . . . . . 0.549 ' HA ' ' CB ' ' A' ' 152' ' ' THR . 31.0 p -54.65 -57.79 10.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.388 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 175' ' ' VAL . . . . . 0.906 HG21 ' HB ' ' A' ' 21' ' ' VAL . 2.9 t -75.58 9.7 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . 0.865 ' HB2' HD12 ' A' ' 127' ' ' LEU . 0.0 OUTLIER -79.64 -55.64 4.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . 0.967 ' HB2' HG21 ' A' ' 152' ' ' THR . 4.1 m-30 -64.62 -53.85 41.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . 0.752 HD11 HG23 ' A' ' 17' ' ' THR . 0.0 OUTLIER -54.22 -47.07 68.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . 0.556 ' CB ' ' O ' ' A' ' 175' ' ' VAL . 9.8 t-20 -65.35 -39.75 92.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 38.1 mm-40 -78.61 -6.91 56.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.085 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 177' ' ' PHE . 5.0 t-20 -94.72 -140.08 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . 0.474 ' HG ' ' OD1' ' A' ' 181' ' ' ASN . 0.0 OUTLIER -89.59 -39.16 13.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 183' ' ' PHE . . . . . 0.552 ' CZ ' ' HB ' ' A' ' 16' ' ' ILE . 12.5 t80 -178.21 -54.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 184' ' ' SER . . . . . 0.619 ' O ' HG12 ' A' ' 186' ' ' VAL . 2.2 t 167.8 129.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.997 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 185' ' ' TYR . . . . . 0.852 ' O ' HD12 ' A' ' 189' ' ' LEU . 2.1 t80 -68.69 56.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 186' ' ' VAL . . . . . 0.619 HG12 ' O ' ' A' ' 184' ' ' SER . 1.1 p -81.63 -39.71 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.248 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.75 -53.08 59.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 188' ' ' ASN . . . . . 0.69 ' CB ' ' CZ ' ' A' ' 185' ' ' TYR . 3.1 t30 -64.27 -49.31 72.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.852 HD12 ' O ' ' A' ' 185' ' ' TYR . 13.6 mt -52.02 -44.51 64.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 186' ' ' VAL . 14.4 t -58.17 -45.07 88.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -61.7 -44.48 96.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -57.34 -51.31 69.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 193' ' ' GLU . . . . . 0.476 ' O ' ' CB ' ' A' ' 194' ' ' MET . 0.2 OUTLIER -67.13 97.55 0.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 194' ' ' MET . . . . . 0.476 ' CB ' ' O ' ' A' ' 193' ' ' GLU . 2.3 ttt 79.2 175.57 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 -179.957 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.249 0 CA-C-O 120.51 0.195 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -113.69 171.85 7.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 p -143.71 -178.23 5.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.023 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -128.21 172.28 11.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.636 HG22 ' H ' ' A' ' 6' ' ' SER . 1.1 p -97.21 -171.36 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.636 ' H ' HG22 ' A' ' 5' ' ' VAL . 10.7 t -89.48 -72.34 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.03 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 24.6 t30 -173.12 -177.61 1.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 166.27 125.71 0.79 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.467 1.104 . . . . 0.0 111.027 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.7 p -136.88 171.4 14.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 0.77 . . . . 0.0 109.979 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 120.89 127.58 3.46 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.465 HD21 ' OD2' ' A' ' 18' ' ' ASP . 0.4 OUTLIER -172.16 179.25 2.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 0.77 . . . . 0.0 109.306 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -150.13 166.46 29.98 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.449 1.093 . . . . 0.0 111.054 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 60.58 157.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 0.769 . . . . 0.0 109.326 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.8 mptt 43.32 46.28 5.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 23.1 t-80 -60.1 -52.31 65.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 109.563 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.481 HD13 ' HA ' ' A' ' 16' ' ' ILE . 0.2 OUTLIER -55.77 -51.39 60.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.882 HG22 HG13 ' A' ' 175' ' ' VAL . 1.7 m -52.72 -45.54 67.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 110.398 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.465 ' OD2' HD21 ' A' ' 11' ' ' LEU . 27.4 t70 -49.63 -43.04 46.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.528 ' O ' ' N ' ' A' ' 23' ' ' GLY . 1.9 mm? -66.99 -25.36 66.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.14 ' CD1' HD22 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -64.85 -49.23 71.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.97 ' HB ' HG21 ' A' ' 175' ' ' VAL . 0.4 OUTLIER -61.58 -60.16 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.169 . . . . 0.0 109.318 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.762 ' CD2' ' HA3' ' A' ' 39' ' ' GLY . 3.2 t80 -61.83 -32.76 73.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 111.014 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -75.05 -36.86 45.0 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.545 1.153 . . . . 0.0 110.961 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 1.211 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 0.7 OUTLIER -53.41 -57.68 9.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 0.776 . . . . 0.0 111.028 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.988 HD22 ' CE1' ' A' ' 171' ' ' PHE . 1.5 tp -57.41 -44.44 84.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.605 ' HG3' ' N ' ' A' ' 27' ' ' SER . 0.1 OUTLIER -54.76 -31.13 58.22 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.605 ' N ' ' HG3' ' A' ' 26' ' ' GLN . 30.9 t -72.0 -93.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.034 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.07 55.15 1.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.029 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.655 ' HA3' HD12 ' A' ' 25' ' ' LEU . . . -99.82 -87.1 1.93 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.114 . . . . 0.0 111.053 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.486 ' CB ' ' HG2' ' A' ' 34' ' ' GLU . 32.6 t -115.66 -102.07 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.423 ' N ' ' SG ' ' A' ' 30' ' ' CYS . 19.2 p -141.1 162.6 35.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.428 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.441 ' O ' HD22 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -49.25 -57.23 7.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -54.88 -26.58 36.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.299 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.515 ' C ' HD23 ' A' ' 25' ' ' LEU . 3.9 tp10 -68.45 -55.67 11.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.276 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 1.09 HD23 ' N ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -48.64 -31.07 6.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 1.09 ' N ' HD23 ' A' ' 35' ' ' LEU . 1.4 tt0 -69.38 -48.33 61.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.97 HG13 HD23 ' A' ' 167' ' ' LEU . 0.3 OUTLIER -66.01 -56.67 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 109.323 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.009 HD22 ' O ' ' A' ' 167' ' ' LEU . 18.0 mt -66.16 -42.4 89.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.762 ' HA3' ' CD2' ' A' ' 22' ' ' PHE . . . -48.76 -43.66 29.94 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.77 113.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.75 . . . . 0.0 110.307 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.625 ' OE2' HG23 ' A' ' 37' ' ' VAL . 0.4 OUTLIER -142.17 137.64 30.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.347 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.478 ' O ' HG21 ' A' ' 5' ' ' VAL . 3.2 mm? -101.16 106.95 48.01 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.152 . . . . 0.0 109.269 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.411 ' HD3' ' O ' ' A' ' 41' ' ' GLU . 18.4 Cg_endo -74.97 151.81 40.13 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.465 1.771 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.541 ' O ' ' CB ' ' A' ' 45' ' ' GLN . 69.3 t -45.89 -56.4 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.541 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 2.8 mt-30 156.78 -178.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 110.313 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 47' ' ' TYR . . . -125.47 143.82 50.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.505 ' O ' ' C ' ' A' ' 48' ' ' TRP . 61.7 t80 -33.63 148.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 111.034 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.505 ' C ' ' O ' ' A' ' 47' ' ' TYR . 82.2 m95 -35.0 -84.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.148 . . . . 0.0 107.983 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 170.61 -52.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.333 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.488 ' O ' ' CB ' ' A' ' 51' ' ' ASP . . . 60.85 -90.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.488 ' CB ' ' O ' ' A' ' 50' ' ' ALA . 11.1 t0 81.74 112.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.577 HD23 ' N ' ' A' ' 54' ' ' ASP . 1.5 tt -34.86 145.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -96.19 -33.79 11.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.341 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.577 ' N ' HD23 ' A' ' 52' ' ' LEU . 17.1 t0 54.65 48.7 19.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.353 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 41.88 67.51 0.56 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.274 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -169.51 90.4 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -116.97 55.34 0.83 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -153.4 101.39 2.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.387 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -178.87 -63.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 45.08 84.94 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.21 113.3 4.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 0.78 . . . . 0.0 110.021 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.0 tp60 -176.18 145.1 0.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.279 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -169.29 173.9 6.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -143.77 -175.55 4.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.011 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.27 -66.9 0.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.261 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.1 p 72.18 160.32 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.995 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 178.82 -160.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 111.052 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.7 m120 61.55 152.15 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -163.18 -175.49 4.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -149.39 135.56 5.4 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.462 1.101 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.21 102.56 3.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 0.784 . . . . 0.0 110.326 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.66 ' O ' HD12 ' A' ' 72' ' ' ILE . 2.8 pp -140.31 127.55 23.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.115 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -87.19 123.87 69.31 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.267 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 144.82 30.76 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.519 1.799 . . . . 0.0 111.039 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.82 -65.58 1.0 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 24.8 p -170.03 167.3 8.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.98 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.443 ' O ' ' CB ' ' A' ' 78' ' ' SER . 0.5 OUTLIER -46.53 -61.23 1.91 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.443 ' CB ' ' O ' ' A' ' 77' ' ' GLU . 1.3 m 80.81 -63.94 0.18 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.995 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.402 ' C ' ' N ' ' A' ' 81' ' ' GLU . 0.5 OUTLIER 73.42 -57.53 0.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.329 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -43.13 -28.01 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' ' 79' ' ' GLN . 1.3 mm-40 -39.83 138.75 0.73 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.416 ' O ' HG23 ' A' ' 86' ' ' ILE . 1.5 pp -100.45 -23.11 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.469 ' CD1' HD11 ' A' ' 16' ' ' ILE . 9.8 pt -53.67 -54.79 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.522 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 85.1 m-70 -60.03 -30.87 69.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.618 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -55.6 -46.92 77.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.346 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.799 HD12 ' C ' ' A' ' 86' ' ' ILE . 0.3 OUTLIER -63.18 -37.39 79.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.342 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.883 ' HB1' ' HA ' ' A' ' 20' ' ' LEU . . . -51.98 -48.18 64.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.497 ' CB ' ' HB2' ' A' ' 27' ' ' SER . 0.6 OUTLIER -65.44 -43.08 91.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.788 ' NE2' HD11 ' A' ' 93' ' ' ILE . 85.8 t60 -60.46 -13.42 13.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.618 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 1.14 HD22 ' CD1' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -63.67 -63.91 1.04 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 1.211 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -57.85 -54.29 48.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.503 ' HG3' ' N ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -47.99 -37.05 13.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.269 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.947 HG22 ' SD ' ' A' ' 153' ' ' MET . 4.9 mm -70.77 -31.69 46.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.5 ' N ' ' SD ' ' A' ' 153' ' ' MET . . . -57.82 -53.96 41.13 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.465 1.103 . . . . 0.0 111.032 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -64.63 -45.68 85.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 0.0 109.296 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -58.18 -47.4 83.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 110.308 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.598 ' SD ' HD13 ' A' ' 150' ' ' ILE . 3.1 tpt -57.78 -36.06 71.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.528 ' HA ' HD11 ' A' ' 101' ' ' ILE . 28.1 t0 -38.78 -30.45 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.459 ' N ' ' C ' ' A' ' 97' ' ' MET . 55.2 t-80 -36.84 -69.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.596 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -146.06 87.95 1.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.953 HG22 ' HB2' ' A' ' 107' ' ' ARG . 6.1 mt -98.03 76.49 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.824 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 2.1 mt-30 161.18 52.63 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.312 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.824 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.2 Cg_endo -75.03 -19.79 17.43 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.534 1.807 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.878 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 40.8 p -152.01 8.0 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.404 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.878 ' HB2' ' O ' ' A' ' 104' ' ' THR . 0.3 OUTLIER 104.76 30.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 1.039 ' O ' ' CD1' ' A' ' 109' ' ' LEU . 1.0 OUTLIER -65.87 -56.3 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.319 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.953 ' HB2' HG22 ' A' ' 101' ' ' ILE . 0.1 OUTLIER -69.73 -14.86 63.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.337 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.419 ' O ' ' N ' ' A' ' 112' ' ' GLN . 2.5 tm0? -63.22 -65.48 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.279 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 1.039 ' CD1' ' O ' ' A' ' 106' ' ' VAL . 0.0 OUTLIER -56.04 -58.74 6.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.857 ' O ' ' CD2' ' A' ' 113' ' ' PHE . . . -50.2 -54.2 22.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.791 ' CB ' ' O ' ' A' ' 107' ' ' ARG . . . -63.21 -18.76 63.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.786 ' HG2' ' N ' ' A' ' 113' ' ' PHE . 0.4 OUTLIER -61.3 -49.27 77.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 110.291 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 1.025 ' CE1' HD12 ' A' ' 127' ' ' LEU . 2.1 p90 -68.43 -36.13 78.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.83 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -48.12 -20.22 0.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 111.039 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.402 ' N ' ' HG3' ' A' ' 114' ' ' MET . 39.2 t30 -132.91 58.0 1.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.426 ' H ' ' NZ ' ' A' ' 123' ' ' LYS . . . -59.6 -107.75 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.473 1.108 . . . . 0.0 111.022 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 28.2 t -151.66 -44.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 0.745 . . . . 0.0 110.005 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.408 HD12 ' O ' ' A' ' 122' ' ' ASP . 0.3 OUTLIER -40.23 -76.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.634 ' O ' ' N ' ' A' ' 121' ' ' GLU . 0.4 OUTLIER -144.83 170.74 15.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.03 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.559 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 20.3 mt-10 -40.61 -16.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.783 ' O ' HD12 ' A' ' 166' ' ' LEU . 0.0 OUTLIER 155.96 62.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.7 ' OD1' HD11 ' A' ' 166' ' ' LEU . 1.0 OUTLIER -120.71 42.05 3.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.426 ' NZ ' ' H ' ' A' ' 116' ' ' GLY . 0.0 OUTLIER -122.99 -30.38 3.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.93 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 1.096 ' O ' HD22 ' A' ' 127' ' ' LEU . 7.0 mmt85 70.35 -54.8 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.626 ' O ' ' N ' ' A' ' 129' ' ' LYS . 4.9 p30 -55.56 -27.43 49.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.459 ' O ' ' CG ' ' A' ' 113' ' ' PHE . 0.8 OUTLIER -46.63 -56.92 5.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 108.324 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 1.096 HD22 ' O ' ' A' ' 124' ' ' ARG . 0.0 OUTLIER -54.73 -57.11 12.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.712 ' HB2' ' OD1' ' A' ' 176' ' ' ASN . . . -57.37 -27.58 62.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.626 ' N ' ' O ' ' A' ' 125' ' ' ASN . 2.9 ttpt -59.0 -33.13 70.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 1.009 ' HB2' ' CD2' ' A' ' 113' ' ' PHE . . . -71.53 -39.09 70.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.364 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.76 ' C ' HD12 ' A' ' 131' ' ' LEU . 0.2 OUTLIER -47.42 -51.55 19.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.629 ' O ' HG23 ' A' ' 136' ' ' THR . 2.4 m-20 -72.24 -51.28 21.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.514 ' O ' ' OG1' ' A' ' 136' ' ' THR . 4.8 mm-40 -70.28 -61.4 1.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 1.14 HG22 ' CZ ' ' A' ' 138' ' ' PHE . 0.3 OUTLIER -49.26 -22.05 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.092 . . . . 0.0 109.276 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.694 ' O ' ' CD ' ' A' ' 139' ' ' PRO . 7.7 ttpt -75.55 -46.95 28.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.629 HG23 ' O ' ' A' ' 132' ' ' ASP . 67.2 p -43.42 -24.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.385 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.881 ' HB3' ' CE1' ' A' ' 138' ' ' PHE . . . -90.13 -48.05 7.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 1.14 ' CZ ' HG22 ' A' ' 134' ' ' VAL . 0.0 OUTLIER -118.12 53.48 1.69 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 111.01 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.739 ' HD3' ' C ' ' A' ' 137' ' ' ALA . 18.4 Cg_endo -75.01 121.0 6.3 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.44 1.758 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.595 ' CB ' ' HB2' ' A' ' 144' ' ' ASN . 2.8 tpt180 175.32 -152.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.697 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 2.3 m-20 -105.39 -148.24 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . 0.613 ' HA ' ' CZ ' ' A' ' 185' ' ' TYR . 4.3 ptt? -45.12 -27.11 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.949 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -74.8 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.252 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . 0.876 ' N ' HD22 ' A' ' 144' ' ' ASN . 0.8 OUTLIER -79.76 -45.06 19.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.697 ' CB ' ' O ' ' A' ' 141' ' ' ASP . 51.0 t0 -36.69 -46.03 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.668 ' CB ' ' OH ' ' A' ' 185' ' ' TYR . 0.6 OUTLIER -50.82 -33.24 22.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.706 ' N ' ' O ' ' A' ' 144' ' ' ASN . . . -57.89 -57.77 11.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . 0.62 ' HG3' ' N ' ' A' ' 149' ' ' LEU . 0.1 OUTLIER -53.48 -46.66 70.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 111.01 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 1.007 HD11 HD11 ' A' ' 90' ' ' LEU . 8.6 tp -59.8 -42.25 93.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.598 HD13 ' SD ' ' A' ' 97' ' ' MET . 2.0 mt -50.33 -30.68 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' MET . . . . . 1.098 ' HG3' HG21 ' A' ' 134' ' ' VAL . 2.4 mmm -63.85 -48.42 76.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 110.977 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . 0.834 ' OG1' ' O ' ' A' ' 174' ' ' THR . 0.6 OUTLIER -46.65 -50.44 17.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.446 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' MET . . . . . 0.947 ' SD ' HG22 ' A' ' 93' ' ' ILE . 11.3 ptp -71.53 -20.9 61.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.974 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 1.126 HD13 HD13 ' A' ' 155' ' ' LEU . 0.0 OUTLIER -59.72 -58.31 9.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 1.126 HD13 HD13 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -52.35 -60.64 2.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.987 ' HA ' HG22 ' A' ' 170' ' ' VAL . . . -54.1 -44.61 71.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.485 ' CB ' ' O ' ' A' ' 153' ' ' MET . 19.0 tptt -47.83 -59.11 3.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . 0.91 ' O ' ' N ' ' A' ' 162' ' ' HIS . 0.0 OUTLIER -78.63 -56.56 4.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . 0.95 ' CG1' ' HB3' ' A' ' 163' ' ' ALA . 59.4 t -42.35 -51.51 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.676 ' HB2' ' O ' ' A' ' 156' ' ' ALA . . . -31.86 -49.59 0.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.15 -10.07 9.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.016 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . 0.91 ' N ' ' O ' ' A' ' 158' ' ' LYS . 5.7 t60 -87.45 -44.95 10.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.605 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 0.95 ' HB3' ' CG1' ' A' ' 159' ' ' VAL . . . -119.89 68.19 12.13 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' PRO . . . . . 0.583 ' HD3' ' C ' ' A' ' 162' ' ' HIS . 18.2 Cg_endo -74.98 45.59 1.37 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.54 1.811 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . 0.604 ' C ' HD23 ' A' ' 166' ' ' LEU . 0.6 OUTLIER -121.27 -46.05 2.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.988 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.783 HD12 ' O ' ' A' ' 121' ' ' GLU . 5.6 mt -105.85 54.23 0.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . 1.009 ' O ' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -43.62 -55.51 4.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.092 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . 0.946 ' N ' HD22 ' A' ' 167' ' ' LEU . 0.5 OUTLIER -54.57 -41.82 70.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 110.307 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . 0.497 ' CB ' ' HB3' ' A' ' 166' ' ' LEU . 7.1 t70 -63.54 -38.46 91.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' VAL . . . . . 0.987 HG22 ' HA ' ' A' ' 156' ' ' ALA . 0.4 OUTLIER -46.84 -53.96 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . 0.988 ' CE1' HD22 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -61.76 -42.57 99.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 172' ' ' HIS . . . . . 0.648 ' O ' ' CB ' ' A' ' 176' ' ' ASN . 31.1 t60 -61.04 -31.18 70.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.566 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . 1.072 HG21 ' HB2' ' A' ' 155' ' ' LEU . 6.7 m -65.01 -49.61 69.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 110.384 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 174' ' ' THR . . . . . 0.9 HG23 ' O ' ' A' ' 171' ' ' PHE . 0.4 OUTLIER -61.35 -62.89 1.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.377 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 175' ' ' VAL . . . . . 0.97 HG21 ' HB ' ' A' ' 21' ' ' VAL . 2.3 t -71.53 5.73 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . 0.732 ' HB3' ' O ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -73.85 -56.75 4.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . 0.847 ' CZ ' ' HB2' ' A' ' 151' ' ' MET . 13.8 m-85 -51.19 -55.59 17.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . 0.569 HD13 ' HG ' ' A' ' 20' ' ' LEU . 0.9 OUTLIER -59.48 -43.42 90.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . 0.471 ' OD1' ' C ' ' A' ' 179' ' ' ASN . 5.1 t-20 -59.55 -37.79 79.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 180' ' ' GLN . . . . . 0.441 ' HB3' ' CD2' ' A' ' 131' ' ' LEU . 1.8 mm-40 -94.83 -0.98 53.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.583 ' CG ' ' H ' ' A' ' 182' ' ' LEU . 7.0 t-20 -95.0 -145.04 0.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . 0.583 ' H ' ' CG ' ' A' ' 181' ' ' ASN . 0.0 OUTLIER -94.79 42.69 1.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 183' ' ' PHE . . . . . 0.618 ' O ' ' CB ' ' A' ' 184' ' ' SER . 1.7 t80 22.5 99.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 111.03 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 184' ' ' SER . . . . . 0.618 ' CB ' ' O ' ' A' ' 183' ' ' PHE . 1.4 m 95.28 90.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 109.983 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 185' ' ' TYR . . . . . 0.668 ' OH ' ' CB ' ' A' ' 146' ' ' LYS . 20.4 t80 -39.04 160.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 186' ' ' VAL . . . . . . . . . . . . . 43.6 t -46.26 -31.26 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.509 ' HB3' HG21 ' A' ' 86' ' ' ILE . 4.9 mmt-85 -53.42 -53.7 47.53 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.127 . . . . 0.0 110.27 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 188' ' ' ASN . . . . . 0.502 ' CB ' ' HB3' ' A' ' 184' ' ' SER . 1.1 t30 -61.57 -43.25 99.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.432 HD13 ' HA ' ' A' ' 189' ' ' LEU . 0.3 OUTLIER -53.98 -46.91 71.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 39.0 t -56.2 -44.93 80.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 109.265 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -61.28 -44.73 96.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -56.94 -51.86 67.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.269 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -129.39 127.38 40.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.324 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 194' ' ' MET . . . . . . . . . . . . . 8.3 mtm -70.17 -64.31 0.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.481 0.181 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 164.03 155.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.7 p 179.73 179.21 0.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.01 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -112.0 179.62 3.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.477 ' O ' ' CB ' ' A' ' 6' ' ' SER . 0.8 OUTLIER -175.06 165.42 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 5' ' ' VAL . 0.7 OUTLIER 83.58 123.49 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.038 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 30.9 t30 177.6 106.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -175.14 -177.68 44.41 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.446 1.091 . . . . 0.0 110.971 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.0 m -147.82 178.1 8.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 0.795 . . . . 0.0 109.972 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.72 -26.21 0.29 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.463 1.102 . . . . 0.0 111.038 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.7 mp 58.56 104.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 0.759 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.694 ' O ' ' HB2' ' A' ' 13' ' ' ALA . . . -152.07 115.05 0.67 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.512 1.132 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.694 ' HB2' ' O ' ' A' ' 12' ' ' GLY . . . 162.17 -101.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 0.758 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.483 ' CB ' ' HB ' ' A' ' 17' ' ' THR . 0.1 OUTLIER -123.89 120.48 32.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.302 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -57.48 -47.53 81.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.611 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.655 HD11 HG13 ' A' ' 83' ' ' ILE . 3.4 tp -58.5 -48.54 85.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 1.032 HG23 HG13 ' A' ' 175' ' ' VAL . 0.6 OUTLIER -54.64 -65.44 0.58 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.404 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.611 ' N ' HG22 ' A' ' 17' ' ' THR . 0.0 OUTLIER -50.16 -35.85 27.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.859 HD13 ' CE1' ' A' ' 84' ' ' HIS . 0.7 OUTLIER -58.58 -33.78 70.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.001 HD21 HD22 ' A' ' 90' ' ' LEU . 0.6 OUTLIER -65.31 -45.05 85.89 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.955 ' HB ' HG21 ' A' ' 175' ' ' VAL . 0.5 OUTLIER -63.47 -65.04 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 1.016 ' CD1' HD12 ' A' ' 35' ' ' LEU . 0.7 OUTLIER -61.23 -32.56 72.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 111.033 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -76.13 -36.97 38.83 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 1.201 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 1.3 t80 -53.07 -56.43 16.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 0.752 . . . . 0.0 111.022 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 1.106 HD22 ' CE1' ' A' ' 171' ' ' PHE . 0.3 OUTLIER -57.84 -45.69 85.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.732 ' HB2' HD13 ' A' ' 35' ' ' LEU . 2.7 tt0 -52.9 -32.66 46.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.583 ' HB2' ' CA ' ' A' ' 88' ' ' ARG . 44.4 t -67.47 -97.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.984 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -143.37 38.12 1.39 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 110.018 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.557 ' HA3' ' CE1' ' A' ' 24' ' ' PHE . . . -82.0 -111.65 0.41 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.558 ' SG ' ' HB1' ' A' ' 160' ' ' ALA . 0.8 OUTLIER -76.66 -98.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.9 m -147.62 169.2 20.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.383 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.773 ' O ' HD23 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -51.91 -55.33 20.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.321 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -58.2 -26.69 63.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.301 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.751 ' C ' HD23 ' A' ' 25' ' ' LEU . 0.5 OUTLIER -68.61 -56.37 8.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.27 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 1.016 HD12 ' CD1' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -47.66 -38.94 15.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.255 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.534 ' N ' ' HG ' ' A' ' 35' ' ' LEU . 14.9 tt0 -72.38 -52.45 15.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 110.306 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.631 ' CG1' ' N ' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -55.39 -58.07 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.964 HD12 HD21 ' A' ' 25' ' ' LEU . 27.7 mt -67.28 -43.82 80.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.482 ' HA3' ' O ' ' A' ' 35' ' ' LEU . . . -52.1 -51.46 40.9 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.463 1.102 . . . . 0.0 110.976 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.403 ' O ' ' CG ' ' A' ' 40' ' ' ARG . 3.9 ptm180 -86.44 43.84 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.763 . . . . 0.0 110.293 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -143.72 100.73 3.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.329 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.773 ' C ' HD23 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -95.44 138.34 21.89 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -91.96 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.488 1.783 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.549 ' O ' ' CB ' ' A' ' 45' ' ' GLN . 2.4 t -129.21 142.26 44.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.549 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 1.2 mm-40 156.26 -73.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . 69.65 6.68 5.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.541 ' O ' ' CG ' ' A' ' 48' ' ' TRP . 2.6 t80 -61.02 -133.64 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.541 ' CG ' ' O ' ' A' ' 47' ' ' TYR . 0.1 OUTLIER 158.62 93.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 107.985 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.615 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -112.9 -155.36 0.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 110.292 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.615 ' HB2' ' O ' ' A' ' 49' ' ' GLU . . . 169.18 171.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.6 p-10 -153.51 -164.12 1.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.237 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.422 HD22 ' HA ' ' A' ' 52' ' ' LEU . 0.3 OUTLIER -178.37 116.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -47.97 169.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -167.47 176.01 6.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.074 . . . . 0.0 109.296 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 69.41 141.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.289 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.493 HD23 ' N ' ' A' ' 56' ' ' LEU . 2.5 pt? -146.62 -179.9 7.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.6 tp60 -118.49 96.45 5.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 21.0 p -89.8 164.87 14.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.403 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 166.12 156.14 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 149.8 146.88 4.41 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.47 1.106 . . . . 0.0 111.013 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.18 93.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.965 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -170.51 119.33 0.55 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.523 1.139 . . . . 0.0 110.339 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -48.37 143.17 4.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 175.83 179.62 0.16 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.464 1.103 . . . . 0.0 109.949 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -88.33 139.95 29.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.358 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 65' ' ' ARG . 14.0 p -35.95 109.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.976 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -105.52 141.65 36.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -144.38 156.4 44.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -127.89 -61.59 1.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.158 . . . . 0.0 110.333 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 124.34 -139.89 12.22 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.56 155.42 50.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 0.749 . . . . 0.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.2 tt -169.58 167.58 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.417 ' HA ' ' HD3' ' A' ' 74' ' ' PRO . 0.9 OUTLIER -92.48 139.64 23.88 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 73' ' ' GLU . 18.2 Cg_endo -75.02 113.86 3.89 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.435 1.755 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -49.97 154.35 1.13 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 34.2 m -68.89 77.58 0.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 110.019 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -146.06 59.9 1.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.266 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.7 m 58.1 86.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.043 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -75.44 177.21 6.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.309 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -72.38 58.83 0.41 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.45 1.094 . . . . 0.0 110.271 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -128.24 96.03 4.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 32.6 pt -88.43 -40.54 13.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.655 HG13 HD11 ' A' ' 16' ' ' ILE . 2.1 pt -52.95 -58.55 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.859 ' CE1' HD13 ' A' ' 19' ' ' LEU . 39.1 m-70 -59.48 -34.75 72.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.601 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -58.01 -45.24 87.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.606 HG22 ' O ' ' A' ' 83' ' ' ILE . 1.6 tp -62.87 -35.76 72.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.941 ' HB1' ' HA ' ' A' ' 20' ' ' LEU . . . -55.09 -51.14 67.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.583 ' CA ' ' HB2' ' A' ' 27' ' ' SER . 7.4 mtp180 -65.9 -51.14 61.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.507 ' O ' ' HB ' ' A' ' 93' ' ' ILE . 45.0 t60 -54.68 -18.18 4.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.632 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 1.001 HD22 HD21 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -61.84 -61.5 2.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 1.201 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -53.83 -57.41 11.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.51 ' HG3' ' N ' ' A' ' 93' ' ' ILE . 0.6 OUTLIER -47.87 -31.28 4.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.624 HG22 ' HE2' ' A' ' 153' ' ' MET . 0.2 OUTLIER -72.06 -34.01 49.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 91' ' ' ALA . . . -57.09 -50.66 62.62 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.419 ' N ' ' HE3' ' A' ' 157' ' ' LYS . 25.7 t70 -61.78 -48.68 79.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 0.785 . . . . 0.0 109.339 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.03 -43.16 95.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 0.0 110.348 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.774 ' SD ' HD13 ' A' ' 150' ' ' ILE . 7.8 tpt -54.67 -39.39 68.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.572 1.17 . . . . 0.0 111.024 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 99' ' ' HIS . 13.3 t0 -42.06 -25.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.448 ' N ' ' C ' ' A' ' 97' ' ' MET . 20.4 t-160 -38.88 -64.58 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.601 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -146.79 89.4 1.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.824 HG23 ' O ' ' A' ' 101' ' ' ILE . 5.0 tt -112.76 73.34 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.699 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 4.0 mt-30 159.59 56.84 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.699 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.2 Cg_endo -75.01 12.11 1.29 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.485 1.782 . . . . 0.0 110.95 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.726 ' O ' ' CB ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER 173.87 -18.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.415 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.726 ' CB ' ' O ' ' A' ' 104' ' ' THR . 4.5 pp 139.96 34.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 1.146 HG22 ' CE1' ' A' ' 138' ' ' PHE . 1.4 t -62.58 -81.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.834 ' N ' HG12 ' A' ' 106' ' ' VAL . 0.5 OUTLIER -54.75 -12.88 0.86 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.253 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.44 ' HB2' ' HA ' ' A' ' 105' ' ' LEU . 3.6 tm0? -63.12 -51.85 64.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 1.041 ' CD1' ' H ' ' A' ' 110' ' ' ALA . 0.4 OUTLIER -61.79 -60.5 3.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 1.041 ' H ' ' CD1' ' A' ' 109' ' ' LEU . . . -53.33 -35.96 60.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.668 ' CB ' ' O ' ' A' ' 107' ' ' ARG . . . -68.09 -25.29 65.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.724 ' HG2' ' H ' ' A' ' 113' ' ' PHE . 3.8 pt20 -57.37 -50.78 71.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.275 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 1.102 ' CD2' ' HB2' ' A' ' 130' ' ' ALA . 1.3 p90 -68.72 -41.92 78.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.817 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -51.3 -39.4 56.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 111.013 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.682 ' HA ' HD21 ' A' ' 118' ' ' LEU . 26.0 m120 -136.01 73.91 1.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -119.6 -37.26 0.79 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.559 1.162 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.4 ' O ' ' HB2' ' A' ' 118' ' ' LEU . 44.0 t -154.32 -44.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 0.794 . . . . 0.0 109.987 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.682 HD21 ' HA ' ' A' ' 115' ' ' ASN . 2.7 mm? 67.52 81.86 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.48 ' O ' ' CG ' ' A' ' 120' ' ' GLU . 5.3 t -109.14 154.55 22.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.981 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.48 ' CG ' ' O ' ' A' ' 119' ' ' SER . 10.3 pt-20 46.69 34.12 2.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 110.328 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 68.97 60.89 0.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.274 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.469 ' HB2' HD12 ' A' ' 118' ' ' LEU . 38.7 t70 54.84 88.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.479 ' O ' HD21 ' A' ' 127' ' ' LEU . 0.0 OUTLIER -61.61 -159.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.678 ' HB3' ' CE1' ' A' ' 172' ' ' HIS . 1.4 ptp85 -122.12 -12.45 8.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.288 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.501 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 5.6 t30 -68.24 -42.11 80.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.752 ' SG ' HD23 ' A' ' 127' ' ' LEU . 1.7 p -51.84 -57.59 8.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 108.289 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.947 HD13 ' HA ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -53.54 -67.54 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.593 ' HB2' ' HG3' ' A' ' 180' ' ' GLN . . . -44.91 -29.76 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 125' ' ' ASN . 0.1 OUTLIER -62.46 -28.94 70.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 1.102 ' HB2' ' CD2' ' A' ' 113' ' ' PHE . . . -73.04 -39.16 66.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.677 ' N ' ' CZ ' ' A' ' 177' ' ' PHE . 0.0 OUTLIER -46.43 -48.69 18.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.595 ' N ' HD23 ' A' ' 131' ' ' LEU . 1.3 m-20 -73.75 -49.21 26.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.723 ' O ' HG22 ' A' ' 136' ' ' THR . 7.0 mm-40 -69.17 -58.15 4.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.133 . . . . 0.0 110.329 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 1.008 HG22 ' CE2' ' A' ' 138' ' ' PHE . 0.3 OUTLIER -45.21 -39.51 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.752 ' O ' ' CD ' ' A' ' 139' ' ' PRO . 32.9 mtmt -73.52 -29.35 62.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.723 HG22 ' O ' ' A' ' 133' ' ' GLU . 1.2 t -49.97 -21.47 1.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 110.403 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.904 ' HB3' ' CE1' ' A' ' 138' ' ' PHE . . . -107.98 -50.53 3.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 1.146 ' CE1' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -118.49 61.09 4.45 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 110.971 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.752 ' CD ' ' O ' ' A' ' 135' ' ' LYS . 18.2 Cg_endo -75.01 -80.26 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.458 1.768 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.862 ' CB ' ' HB2' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 33.33 -152.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.167 . . . . 0.0 110.316 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.786 ' O ' ' N ' ' A' ' 145' ' ' ASP . 2.5 m-20 -109.01 -140.01 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . 0.673 ' HG3' ' CD2' ' A' ' 185' ' ' TYR . 6.8 ttt -40.61 -36.41 0.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -63.21 -66.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . 0.956 ' HB3' ' C ' ' A' ' 138' ' ' PHE . 0.9 OUTLIER -82.91 -47.43 11.81 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.786 ' N ' ' O ' ' A' ' 141' ' ' ASP . 11.8 t70 -40.6 -57.79 1.77 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.509 ' CG ' ' O ' ' A' ' 142' ' ' MET . 12.3 mmmt -52.44 -24.62 8.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.834 ' HB3' ' O ' ' A' ' 144' ' ' ASN . . . -59.65 -55.66 31.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . 0.752 ' HG3' ' N ' ' A' ' 149' ' ' LEU . 0.4 OUTLIER -53.25 -50.07 65.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.752 ' N ' ' HG3' ' A' ' 148' ' ' MET . 0.2 OUTLIER -54.21 -50.44 67.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.774 HD13 ' SD ' ' A' ' 97' ' ' MET . 0.1 OUTLIER -52.22 -26.24 8.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' MET . . . . . 0.935 ' O ' ' CD2' ' A' ' 155' ' ' LEU . 6.4 tpp -62.61 -53.79 49.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . 1.105 ' OG1' ' O ' ' A' ' 173' ' ' THR . 1.4 t -42.17 -44.95 3.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.387 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' MET . . . . . 0.66 ' SD ' HD23 ' A' ' 90' ' ' LEU . 3.4 mpp? -72.85 -24.83 60.93 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 1.004 ' C ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -59.71 -50.13 75.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.35 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 1.117 ' CB ' HG21 ' A' ' 173' ' ' THR . 0.0 OUTLIER -50.91 -59.95 3.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.995 ' HA ' HG22 ' A' ' 170' ' ' VAL . . . -57.21 -50.54 72.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.506 ' CE ' ' HA ' ' A' ' 157' ' ' LYS . 2.8 tppt? -45.72 -54.63 7.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . 0.986 ' O ' ' N ' ' A' ' 162' ' ' HIS . 0.0 OUTLIER -78.03 -59.06 2.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . 1.041 HG13 ' CB ' ' A' ' 163' ' ' ALA . 89.0 t -42.4 -55.33 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.558 ' HB1' ' SG ' ' A' ' 30' ' ' CYS . . . -32.51 -48.13 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.28 -10.44 11.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.025 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . 0.986 ' N ' ' O ' ' A' ' 158' ' ' LYS . 1.2 t60 -87.36 -51.57 5.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.62 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 1.041 ' CB ' HG13 ' A' ' 159' ' ' VAL . . . -97.71 146.27 31.15 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -30.36 7.24 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.478 1.778 . . . . 0.0 110.955 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.73 76.43 2.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.035 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.5 ' HB2' HG21 ' A' ' 170' ' ' VAL . 0.4 OUTLIER -95.34 30.25 2.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . 0.907 ' C ' HD22 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -72.51 -140.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . 0.708 ' H ' HD13 ' A' ' 167' ' ' LEU . 0.0 OUTLIER -52.94 -19.95 3.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . 0.433 ' N ' ' HG3' ' A' ' 168' ' ' ARG . 1.3 m-20 -63.88 -54.94 26.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' VAL . . . . . 0.995 HG22 ' HA ' ' A' ' 156' ' ' ALA . 1.2 t -54.37 -58.73 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . 1.106 ' CE1' HD22 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -57.14 -50.15 73.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 110.981 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 172' ' ' HIS . . . . . 0.678 ' CE1' ' HB3' ' A' ' 124' ' ' ARG . 15.3 t-160 -51.62 -42.58 62.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.559 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . 1.117 HG21 ' CB ' ' A' ' 155' ' ' LEU . 57.4 m -52.39 -47.39 66.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 110.414 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 174' ' ' THR . . . . . 0.975 ' HA ' HG23 ' A' ' 152' ' ' THR . 11.5 p -61.17 -64.63 0.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.435 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 175' ' ' VAL . . . . . 1.068 ' HA ' HD12 ' A' ' 178' ' ' ILE . 2.6 t -70.42 9.28 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . 0.935 ' HB2' HD12 ' A' ' 127' ' ' LEU . 0.0 OUTLIER -76.6 -58.87 3.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . 0.677 ' CZ ' ' N ' ' A' ' 131' ' ' LEU . 2.6 m-30 -62.62 -53.46 54.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . 1.068 HD12 ' HA ' ' A' ' 175' ' ' VAL . 0.0 OUTLIER -53.84 -42.24 51.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . 1.025 ' N ' HD13 ' A' ' 178' ' ' ILE . 16.6 t-20 -70.73 -42.4 70.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.255 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 180' ' ' GLN . . . . . 0.593 ' HG3' ' HB2' ' A' ' 128' ' ' ALA . 15.1 mm-40 -71.17 -23.98 62.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.336 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.656 ' C ' HD13 ' A' ' 182' ' ' LEU . 41.0 t30 -109.14 -151.89 0.48 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . 0.806 HD13 ' N ' ' A' ' 182' ' ' LEU . 0.0 OUTLIER -95.0 80.58 3.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 183' ' ' PHE . . . . . 0.694 ' CG ' ' N ' ' A' ' 184' ' ' SER . 0.2 OUTLIER 23.43 -84.31 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 110.987 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 184' ' ' SER . . . . . 0.694 ' N ' ' CG ' ' A' ' 183' ' ' PHE . 39.9 t -100.96 147.83 25.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.028 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 185' ' ' TYR . . . . . 0.868 ' CE1' HG12 ' A' ' 186' ' ' VAL . 8.0 t80 -28.66 145.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 111.0 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 186' ' ' VAL . . . . . 0.868 HG12 ' CE1' ' A' ' 185' ' ' TYR . 5.0 p -40.04 -30.56 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.655 ' HB2' ' CE2' ' A' ' 185' ' ' TYR . 0.0 OUTLIER -54.81 -53.96 48.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 188' ' ' ASN . . . . . 0.518 ' CB ' ' HB3' ' A' ' 184' ' ' SER . 2.4 m120 -62.94 -43.93 97.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.675 HD13 ' HB3' ' A' ' 182' ' ' LEU . 14.1 tp -53.04 -46.4 68.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 186' ' ' VAL . 43.0 t -58.64 -44.54 89.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -59.95 -48.83 80.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.288 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -55.75 -49.17 73.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.08 142.42 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 194' ' ' MET . . . . . . . . . . . . . 14.4 ttt -117.41 130.34 56.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.954 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 6.7 t0 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.7 ptt? . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.516 0.198 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 169.38 -179.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.83 170.85 0.67 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 110.011 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 176.1 160.4 0.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.257 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.4 p -173.21 165.42 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 t -169.76 175.47 5.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.988 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -174.15 179.3 1.91 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -170.26 178.42 43.01 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.446 1.091 . . . . 0.0 111.012 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 m -150.28 -173.97 4.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 0.771 . . . . 0.0 109.967 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -134.93 -166.02 10.99 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.542 1.152 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 68.45 140.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 109.329 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.434 ' O ' ' CG2' ' A' ' 186' ' ' VAL . . . 177.03 -154.59 16.28 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.504 1.127 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.443 ' HA ' HG23 ' A' ' 186' ' ' VAL . . . -106.61 178.93 4.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 0.77 . . . . 0.0 109.249 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.475 ' HD3' HG21 ' A' ' 178' ' ' ILE . 1.3 mmtp -129.27 2.7 5.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.713 ' NE2' HG23 ' A' ' 16' ' ' ILE . 0.4 OUTLIER -61.58 -44.31 97.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.566 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.779 HD12 ' CB ' ' A' ' 19' ' ' LEU . 4.4 pt -68.45 47.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.911 HG22 HG13 ' A' ' 175' ' ' VAL . 4.8 m -49.65 -52.16 32.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.376 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.58 -40.23 18.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.779 ' CB ' HD12 ' A' ' 16' ' ' ILE . 3.6 mm? -63.8 -28.37 69.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.096 ' CD2' HD22 ' A' ' 90' ' ' LEU . 2.5 tm? -65.02 -43.81 91.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.905 ' HB ' HG21 ' A' ' 175' ' ' VAL . 0.5 OUTLIER -60.24 -63.33 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.792 ' CD2' ' HA3' ' A' ' 39' ' ' GLY . 4.3 t80 -62.95 -32.58 73.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.543 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -74.6 -35.83 50.39 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 1.202 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 5.4 t80 -54.14 -58.67 6.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 0.772 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 1.02 HD22 ' CE1' ' A' ' 171' ' ' PHE . 0.3 OUTLIER -55.9 -44.4 78.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.739 ' HB3' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -53.09 -32.71 48.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.594 ' N ' ' HG3' ' A' ' 26' ' ' GLN . 41.0 t -68.52 -96.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.958 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -142.16 20.25 2.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.987 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.616 ' HA3' ' CE1' ' A' ' 24' ' ' PHE . . . -57.9 -104.08 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.512 1.133 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.583 ' H ' HD12 ' A' ' 25' ' ' LEU . 40.4 t -91.56 -95.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 34' ' ' GLU . 0.5 OUTLIER -145.31 153.35 41.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.461 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.52 -57.03 3.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.329 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.972 ' O ' HG23 ' A' ' 37' ' ' VAL . 7.7 tt0 -54.96 -26.24 35.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.427 1.079 . . . . 0.0 110.28 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.69 ' C ' HD23 ' A' ' 25' ' ' LEU . 1.5 tp10 -66.79 -55.77 13.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 1.097 HD23 ' N ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -47.34 -34.75 7.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 1.097 ' N ' HD23 ' A' ' 35' ' ' LEU . 20.8 tt0 -70.26 -44.9 67.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.102 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.972 HG23 ' O ' ' A' ' 33' ' ' GLN . 3.7 t -63.87 -59.86 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.176 ' HB2' ' CD2' ' A' ' 171' ' ' PHE . 0.4 OUTLIER -65.75 -41.47 92.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.248 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.792 ' HA3' ' CD2' ' A' ' 22' ' ' PHE . . . -49.58 -43.99 37.23 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.485 1.116 . . . . 0.0 111.021 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.0 ptt85 176.0 113.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 0.764 . . . . 0.0 110.276 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -141.79 98.57 3.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.317 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -101.71 106.89 49.25 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 44' ' ' VAL . 18.2 Cg_endo -75.0 135.49 19.14 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.507 1.793 . . . . 0.0 110.975 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.53 ' O ' HG13 ' A' ' 44' ' ' VAL . 10.0 p -39.63 102.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.525 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 10.5 tt0 158.65 130.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 110.309 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 47' ' ' TYR . . . -156.92 -49.77 0.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.541 ' O ' ' CB ' ' A' ' 48' ' ' TRP . 2.5 t80 -35.55 126.49 0.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.541 ' CB ' ' O ' ' A' ' 47' ' ' TYR . 0.1 OUTLIER 158.12 159.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 108.027 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.695 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 0.6 OUTLIER 69.14 132.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.269 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.695 ' HB2' ' O ' ' A' ' 49' ' ' GLU . . . 162.38 118.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.472 ' O ' ' C ' ' A' ' 52' ' ' LEU . 0.8 OUTLIER -177.04 89.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.472 ' C ' ' O ' ' A' ' 51' ' ' ASP . 0.8 OUTLIER -34.2 147.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -167.78 118.54 0.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 110.266 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -175.19 156.61 2.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 178.39 84.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 110.271 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.5 tp 60.74 152.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 178.61 105.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 47.1 p -86.52 159.21 19.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 110.38 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -179.8 -58.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 113.25 -94.38 0.71 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.53 1.144 . . . . 0.0 110.966 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 49.4 m 61.67 169.87 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.769 . . . . 0.0 110.023 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 71.23 141.97 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -127.18 -64.01 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 30.9 p -178.84 -60.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.038 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.453 ' O ' ' CB ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -139.53 130.9 26.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.303 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 65' ' ' ARG . 1.4 t 163.43 74.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.973 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -139.72 94.11 2.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -158.4 108.87 2.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 61.68 86.03 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 110.298 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -54.58 -87.21 0.02 OUTLIER Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.496 1.123 . . . . 0.0 110.98 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.0 mtt-85 -104.3 -2.33 25.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 0.773 . . . . 0.0 110.282 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.548 HG22 ' O ' ' A' ' 72' ' ' ILE . 7.0 mt -80.08 84.51 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -86.86 151.82 52.84 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.255 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 69.45 5.57 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.477 1.777 . . . . 0.0 110.958 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -107.7 70.01 0.76 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.9 t -55.35 145.71 21.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.959 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -81.51 59.22 3.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 110.258 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 41.04 -153.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.982 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -133.53 -45.81 0.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.3 pm0 -65.89 -21.3 66.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.294 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 43.02 50.36 5.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 110.314 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.488 ' O ' ' HB2' ' A' ' 85' ' ' ASN . 7.3 mm -98.4 -13.09 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.511 ' O ' HG22 ' A' ' 86' ' ' ILE . 1.5 mp -53.38 -40.76 41.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.342 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.41 ' NE2' ' HG ' ' A' ' 19' ' ' LEU . 47.5 m80 -64.31 -41.87 96.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.633 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.488 ' HB2' ' O ' ' A' ' 82' ' ' ILE . 25.3 m120 -52.35 -45.45 65.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.511 HG22 ' O ' ' A' ' 83' ' ' ILE . 0.6 OUTLIER -61.82 -50.39 80.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.967 ' HB1' ' HA ' ' A' ' 20' ' ' LEU . . . -53.36 -37.64 62.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.542 ' O ' ' CB ' ' A' ' 27' ' ' SER . 3.6 ttm180 -64.67 -51.76 60.85 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.833 ' NE2' HD13 ' A' ' 93' ' ' ILE . 86.4 t60 -53.24 -19.55 3.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.582 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 1.096 HD22 ' CD2' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -58.69 -71.67 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.339 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 1.202 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -51.44 -48.08 62.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.253 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -50.03 -41.49 47.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.297 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.95 HG22 ' O ' ' A' ' 90' ' ' LEU . 2.2 tp -67.84 -25.81 33.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.55 ' CA ' ' HD2' ' A' ' 157' ' ' LYS . . . -62.39 -52.67 47.62 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.491 1.119 . . . . 0.0 110.944 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -58.49 -52.18 66.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 0.729 . . . . 0.0 109.315 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -43.1 96.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.269 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.537 ' CB ' ' O ' ' A' ' 93' ' ' ILE . 36.4 tpp -54.5 -38.97 67.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.976 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.467 ' O ' ' C ' ' A' ' 99' ' ' HIS . 26.2 t70 -40.81 -27.09 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.47 ' N ' ' C ' ' A' ' 97' ' ' MET . 1.4 m-70 -35.24 -66.04 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.633 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 47.0 m-20 -146.2 89.63 1.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.779 HG23 ' O ' ' A' ' 101' ' ' ILE . 12.4 tt -105.99 78.17 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.774 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 0.1 OUTLIER 159.99 54.71 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 0.0 110.275 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.774 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.3 Cg_endo -74.98 -20.81 16.54 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.508 1.794 . . . . 0.0 110.976 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.958 ' O ' HD23 ' A' ' 105' ' ' LEU . 33.6 p -146.28 7.88 1.04 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 110.449 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.958 HD23 ' O ' ' A' ' 104' ' ' THR . 0.2 OUTLIER 102.58 31.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 1.175 ' O ' ' CD1' ' A' ' 109' ' ' LEU . 1.2 t -60.77 -63.7 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.08 . . . . 0.0 109.254 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 1.053 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 0.1 OUTLIER -67.18 -13.65 62.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.573 ' O ' ' HB3' ' A' ' 111' ' ' ALA . 0.0 OUTLIER -62.15 -61.08 2.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 1.175 ' CD1' ' O ' ' A' ' 106' ' ' VAL . 0.1 OUTLIER -61.04 -61.68 2.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.988 ' HB2' ' CG2' ' A' ' 134' ' ' VAL . . . -52.79 -17.81 1.55 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 1.053 ' HB2' ' O ' ' A' ' 107' ' ' ARG . . . -82.11 -56.17 4.1 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 1.078 ' HG3' ' O ' ' A' ' 109' ' ' LEU . 0.5 OUTLIER -40.27 -54.56 2.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 1.248 ' CD2' ' HB2' ' A' ' 130' ' ' ALA . 0.2 OUTLIER -62.09 -40.75 96.89 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.676 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 5.5 tpt -56.43 59.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 111.018 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.746 ' N ' ' O ' ' A' ' 113' ' ' PHE . 1.6 t-20 -144.03 -151.31 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.493 ' HA3' ' HZ2' ' A' ' 123' ' ' LYS . . . 96.26 -163.94 23.26 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 25.3 m -156.75 50.45 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 0.748 . . . . 0.0 110.064 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 1.083 HD11 HD13 ' A' ' 166' ' ' LEU . 2.0 mm? 67.66 90.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.415 ' HB2' ' HZ3' ' A' ' 123' ' ' LYS . 0.1 OUTLIER -106.34 118.55 36.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.018 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 73.48 16.58 3.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.287 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.438 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 1.4 mt-10 65.4 77.2 0.31 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.577 ' O ' ' CB ' ' A' ' 123' ' ' LYS . 0.2 OUTLIER 159.69 -87.86 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.577 ' CB ' ' O ' ' A' ' 122' ' ' ASP . 2.2 tppt? 94.0 68.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.62 ' HA ' HD21 ' A' ' 127' ' ' LEU . 0.0 OUTLIER -112.5 -12.42 13.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.524 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 4.8 p30 -72.65 -42.3 64.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.698 ' SG ' ' N ' ' A' ' 127' ' ' LEU . 1.7 p -49.38 -53.83 20.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 108.34 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.843 HD13 ' HB2' ' A' ' 176' ' ' ASN . 0.0 OUTLIER -52.84 -69.97 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.454 ' O ' ' HB3' ' A' ' 131' ' ' LEU . . . -47.63 -27.93 2.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.524 ' HB2' ' O ' ' A' ' 125' ' ' ASN . 0.0 OUTLIER -55.65 -35.3 65.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 1.248 ' HB2' ' CD2' ' A' ' 113' ' ' PHE . . . -72.49 -40.69 66.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.635 ' O ' ' CB ' ' A' ' 135' ' ' LYS . 0.0 OUTLIER -43.76 -41.63 5.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.488 ' O ' ' HB ' ' A' ' 136' ' ' THR . 0.4 OUTLIER -72.96 -52.3 15.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.679 ' O ' HG22 ' A' ' 136' ' ' THR . 1.4 mt-10 -73.66 -59.19 2.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.271 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.988 ' CG2' ' HB2' ' A' ' 110' ' ' ALA . 1.1 t -45.93 -39.27 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.739 ' HG3' ' HA ' ' A' ' 139' ' ' PRO . 0.0 OUTLIER -74.87 -38.13 62.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.679 HG22 ' O ' ' A' ' 133' ' ' GLU . 0.7 OUTLIER -51.56 -19.6 1.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 110.423 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.835 ' HB3' ' CE1' ' A' ' 138' ' ' PHE . . . -103.41 -51.93 3.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 0.896 ' CZ ' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -119.1 65.51 7.5 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.739 ' HA ' ' HG3' ' A' ' 135' ' ' LYS . 18.3 Cg_endo -75.01 -91.41 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.542 1.811 . . . . 0.0 110.978 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.726 ' CB ' ' HB2' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 40.49 -168.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 110.284 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.645 ' O ' ' N ' ' A' ' 145' ' ' ASP . 4.7 m-20 -94.5 -143.65 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . 0.608 ' HA ' ' CE2' ' A' ' 185' ' ' TYR . 0.0 OUTLIER -44.59 -34.28 2.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 111.043 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -55.82 -69.09 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . 0.749 ' O ' ' N ' ' A' ' 147' ' ' ALA . 1.0 OUTLIER -80.15 -41.74 24.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.645 ' N ' ' O ' ' A' ' 141' ' ' ASP . 83.4 m-20 -36.53 -52.0 0.85 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.534 ' HB2' ' CZ ' ' A' ' 185' ' ' TYR . 11.8 ttpt -53.41 -30.65 41.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.248 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.749 ' N ' ' O ' ' A' ' 144' ' ' ASN . . . -55.64 -56.8 16.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . 0.769 ' HG3' ' N ' ' A' ' 149' ' ' LEU . 0.0 OUTLIER -52.84 -42.18 64.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.769 ' N ' ' HG3' ' A' ' 148' ' ' MET . 89.8 mt -55.84 -48.5 75.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.639 HG23 ' CE ' ' A' ' 153' ' ' MET . 2.5 mt -51.07 -28.26 6.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.254 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' MET . . . . . 0.944 ' SD ' HG13 ' A' ' 106' ' ' VAL . 36.1 mmm -66.68 -50.69 62.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . 1.129 ' OG1' ' O ' ' A' ' 173' ' ' THR . 1.0 OUTLIER -42.17 -50.43 4.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 110.445 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' MET . . . . . 0.639 ' CE ' HG23 ' A' ' 150' ' ' ILE . 5.4 ptt? -70.58 -26.45 63.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 111.001 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.991 ' C ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -54.33 -49.98 68.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 1.143 ' O ' HG23 ' A' ' 159' ' ' VAL . 0.0 OUTLIER -52.39 -56.65 13.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.334 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 1.049 ' HA ' HG22 ' A' ' 170' ' ' VAL . . . -56.21 -52.03 65.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.665 ' HA ' ' CB ' ' A' ' 161' ' ' SER . 1.3 mtpm? -47.3 -52.66 15.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . 0.601 ' O ' ' CB ' ' A' ' 162' ' ' HIS . 17.3 ptmt -73.71 -42.07 61.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . 1.143 HG23 ' O ' ' A' ' 155' ' ' LEU . 24.8 t -70.01 -134.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.355 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.924 ' H ' HG12 ' A' ' 159' ' ' VAL . . . -25.9 -62.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.251 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . 0.665 ' CB ' ' HA ' ' A' ' 157' ' ' LYS . 0.4 OUTLIER -48.86 -13.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.01 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . 0.969 ' N ' ' O ' ' A' ' 159' ' ' VAL . 0.6 OUTLIER -148.31 -44.22 0.16 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.428 1.08 . . . . 0.0 109.614 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 1.085 ' N ' ' O ' ' A' ' 159' ' ' VAL . . . -108.61 94.68 14.51 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' PRO . . . . . 0.515 ' HD3' ' O ' ' A' ' 162' ' ' HIS . 18.3 Cg_endo -75.03 74.28 4.07 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.508 1.794 . . . . 0.0 110.975 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.99 -73.73 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.982 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 1.083 HD13 HD11 ' A' ' 118' ' ' LEU . 0.2 OUTLIER -123.08 79.9 1.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . 0.976 ' HB2' HD21 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -52.38 -25.81 10.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.348 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . 0.881 HH21 HD12 ' A' ' 118' ' ' LEU . 18.8 ptt180 -60.75 -49.84 75.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . 0.625 ' N ' ' CG ' ' A' ' 168' ' ' ARG . 65.7 t0 -65.64 -31.92 73.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' VAL . . . . . 1.049 HG22 ' HA ' ' A' ' 156' ' ' ALA . 0.9 OUTLIER -51.24 -65.63 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.255 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . 1.176 ' CD2' ' HB2' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -53.74 -51.69 62.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 110.971 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 172' ' ' HIS . . . . . 0.611 ' O ' ' HB3' ' A' ' 176' ' ' ASN . 0.5 OUTLIER -52.06 -42.2 62.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.56 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . 1.129 ' O ' ' OG1' ' A' ' 152' ' ' THR . 85.7 m -55.9 -39.8 72.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.413 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 174' ' ' THR . . . . . 1.03 ' HA ' HG23 ' A' ' 152' ' ' THR . 11.7 p -65.63 -72.85 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.39 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 175' ' ' VAL . . . . . 0.911 HG13 HG22 ' A' ' 17' ' ' THR . 40.0 t -66.51 10.69 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . 0.843 ' HB2' HD13 ' A' ' 127' ' ' LEU . 0.0 OUTLIER -77.54 -61.23 2.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . 0.909 ' HZ ' ' HB3' ' A' ' 130' ' ' ALA . 2.5 m-30 -62.16 -53.79 50.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . 0.617 ' CG2' HG23 ' A' ' 17' ' ' THR . 2.3 mt -51.64 -46.69 38.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . 0.575 ' N ' HG21 ' A' ' 17' ' ' THR . 6.8 t-20 -62.22 -41.29 98.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.238 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -94.75 11.47 31.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.704 ' CG ' HD22 ' A' ' 182' ' ' LEU . 41.9 t30 -95.55 -137.43 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . 0.704 HD22 ' CG ' ' A' ' 181' ' ' ASN . 0.1 OUTLIER -91.14 18.48 6.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 183' ' ' PHE . . . . . 0.793 ' O ' ' CG ' ' A' ' 183' ' ' PHE . 13.5 t80 23.52 48.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.96 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 184' ' ' SER . . . . . 0.557 ' CB ' ' O ' ' A' ' 183' ' ' PHE . 0.5 OUTLIER 155.39 43.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.991 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 185' ' ' TYR . . . . . 0.608 ' CE2' ' HA ' ' A' ' 142' ' ' MET . 10.0 t80 -46.92 -56.84 5.68 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 186' ' ' VAL . . . . . 0.738 ' O ' HG13 ' A' ' 190' ' ' VAL . 19.8 m -65.3 -44.0 94.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.165 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.589 ' O ' HG22 ' A' ' 190' ' ' VAL . 0.0 OUTLIER -54.88 -43.63 73.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.309 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 188' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -63.19 -41.29 99.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.509 ' O ' ' OD1' ' A' ' 192' ' ' ASN . 0.7 OUTLIER -56.13 -54.28 47.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 109.348 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . 0.738 HG13 ' O ' ' A' ' 186' ' ' VAL . 0.9 OUTLIER -62.84 -41.16 91.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 191' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 187' ' ' ARG . 0.0 OUTLIER -54.25 -55.75 25.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 192' ' ' ASN . . . . . 0.514 ' C ' ' ND2' ' A' ' 192' ' ' ASN . 0.4 OUTLIER -63.36 -43.37 97.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 193' ' ' GLU . . . . . 0.514 ' N ' ' ND2' ' A' ' 192' ' ' ASN . 1.0 OUTLIER -85.3 65.84 9.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.331 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 194' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -174.14 -45.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 111.002 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 13.7 t70 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.461 0.172 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -178.37 173.07 1.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.5 m -119.6 -177.85 3.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.964 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -143.95 53.62 1.3 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 0.0 110.287 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.54 HG21 ' OE1' ' A' ' 121' ' ' GLU . 11.7 p -155.67 160.93 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 169.39 156.42 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.011 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -178.13 171.71 1.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.255 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -94.66 -149.87 26.23 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.522 1.139 . . . . 0.0 110.957 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.6 t -135.81 -93.44 0.26 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 0.763 . . . . 0.0 109.967 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 147.36 -142.26 10.07 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.517 1.135 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 68.4 175.12 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 0.784 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -101.39 161.22 18.13 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.448 1.093 . . . . 0.0 111.026 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.565 ' O ' ' CB ' ' A' ' 14' ' ' LYS . . . 62.6 100.97 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 0.774 . . . . 0.0 109.331 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.565 ' CB ' ' O ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER 158.58 -17.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -51.84 -51.16 58.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.636 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 1.171 HG21 ' CE1' ' A' ' 183' ' ' PHE . 5.4 tp -54.35 -49.4 64.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 1.026 ' CG2' HG13 ' A' ' 175' ' ' VAL . 0.2 OUTLIER -52.44 -40.37 62.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.404 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.873 ' O ' HG23 ' A' ' 21' ' ' VAL . 1.0 OUTLIER -47.62 -39.01 15.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.536 ' HG ' ' CE1' ' A' ' 84' ' ' HIS . 1.8 mm? -70.18 -27.61 64.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.07 ' CD1' HD22 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -60.66 -54.54 44.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.35 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 1.127 HG22 HG21 ' A' ' 175' ' ' VAL . 0.0 OUTLIER -53.53 -60.91 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 109.296 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.892 ' O ' HD12 ' A' ' 35' ' ' LEU . 2.8 t80 -56.97 -35.89 69.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -71.79 -36.21 61.69 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 1.173 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 0.9 OUTLIER -53.86 -57.67 10.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 111.01 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.899 HD23 ' N ' ' A' ' 35' ' ' LEU . 0.3 OUTLIER -57.57 -43.08 84.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -30.67 67.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.334 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.577 ' CB ' ' O ' ' A' ' 88' ' ' ARG . 43.6 t -71.69 -65.24 0.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.029 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.501 ' O ' ' C ' ' A' ' 29' ' ' GLY . 5.5 m -142.68 -89.4 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.029 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.501 ' C ' ' O ' ' A' ' 28' ' ' SER . . . 29.4 -128.52 0.1 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.468 1.105 . . . . 0.0 110.984 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.657 ' HB3' ' CB ' ' A' ' 34' ' ' GLU . 49.0 t -75.05 -109.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.649 HG23 ' HG3' ' A' ' 33' ' ' GLN . 4.3 t -145.26 172.59 12.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.432 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.63 ' O ' HD23 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -48.12 -51.11 26.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.924 ' O ' HG23 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -54.46 -28.19 42.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 110.322 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.843 ' CG ' HD21 ' A' ' 25' ' ' LEU . 3.6 tp10 -68.63 -58.95 3.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.899 ' N ' HD23 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -44.69 -35.31 2.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.265 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.507 ' N ' HD23 ' A' ' 35' ' ' LEU . 1.9 tt0 -69.67 -39.67 76.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.258 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.924 HG23 ' O ' ' A' ' 33' ' ' GLN . 20.1 t -64.48 -60.99 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.157 ' HB2' ' CD2' ' A' ' 171' ' ' PHE . 0.3 OUTLIER -64.07 -44.57 92.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.621 ' HA3' ' CD1' ' A' ' 22' ' ' PHE . . . -46.21 -52.4 10.41 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.416 ' O ' ' O ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER 173.49 -160.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 0.751 . . . . 0.0 110.312 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -142.55 97.27 3.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.318 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -99.08 123.95 47.09 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -57.29 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.486 1.782 . . . . 0.0 110.974 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.591 ' O ' ' CB ' ' A' ' 45' ' ' GLN . 8.4 p -40.81 -35.67 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.591 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 17.3 tt0 152.6 156.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.45 ' N ' ' CG ' ' A' ' 45' ' ' GLN . . . -70.71 60.5 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.591 ' O ' ' CB ' ' A' ' 48' ' ' TRP . 6.3 t80 -33.41 140.22 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.591 ' CB ' ' O ' ' A' ' 47' ' ' TYR . 2.0 t-105 154.32 160.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.416 ' N ' ' CG ' ' A' ' 48' ' ' TRP . 0.6 OUTLIER -166.24 -179.23 4.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.312 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 49' ' ' GLU . . . 59.42 154.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.42 ' O ' ' O ' ' A' ' 52' ' ' LEU . 0.7 OUTLIER 170.43 165.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.337 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.666 HD23 ' C ' ' A' ' 52' ' ' LEU . 0.3 OUTLIER 57.78 158.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.454 ' N ' HD23 ' A' ' 52' ' ' LEU . 18.3 tt0 -174.75 101.9 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.19 176.21 5.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.415 ' O ' ' CB ' ' A' ' 56' ' ' LEU . 28.8 tt0 -170.99 146.07 2.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.415 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 0.5 OUTLIER 81.47 147.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -169.36 152.14 4.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.626 ' O ' HG23 ' A' ' 58' ' ' THR . 15.0 t -153.47 100.8 2.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.415 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -134.61 158.47 43.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -164.82 167.02 38.37 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.467 1.104 . . . . 0.0 110.973 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.8 t -148.39 142.21 25.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 0.77 . . . . 0.0 110.032 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.23 -63.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 110.277 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.449 ' O ' ' CB ' ' A' ' 64' ' ' SER . . . -41.9 -65.73 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.348 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' A' ' 63' ' ' ALA . 0.2 OUTLIER 82.25 -57.2 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 110.028 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.545 ' O ' ' CB ' ' A' ' 66' ' ' SER . 6.5 ttt-85 -87.01 90.64 8.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 65' ' ' ARG . 2.1 p 156.01 174.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 110.003 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -126.57 158.48 36.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 173.66 91.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -87.61 176.92 7.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.156 . . . . 0.0 110.28 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -171.1 165.72 38.86 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.92 176.91 5.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.7 pp -108.92 120.72 60.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -87.95 148.85 44.3 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.332 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 174.83 12.11 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.545 1.813 . . . . 0.0 110.964 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -146.56 -176.54 5.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 70.7 m -83.41 179.33 7.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 110.021 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -119.32 157.76 27.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.9 p -164.5 130.87 2.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.98 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 81' ' ' GLU . 1.8 mt-30 177.65 162.7 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.273 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.18 64.17 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.122 . . . . 0.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 79' ' ' GLN . 1.3 pt-20 177.08 73.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.319 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.1 pp -80.71 -34.91 14.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.604 ' O ' HG22 ' A' ' 86' ' ' ILE . 59.4 mt -53.49 -50.78 47.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.617 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 70.8 m-70 -62.31 -34.14 76.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.602 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.439 ' HA ' ' CZ ' ' A' ' 88' ' ' ARG . 3.8 t-20 -56.47 -49.93 73.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.604 HG22 ' O ' ' A' ' 83' ' ' ILE . 1.0 OUTLIER -62.77 -32.52 56.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.924 ' HB1' ' HA ' ' A' ' 20' ' ' LEU . . . -52.81 -48.2 67.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.577 ' O ' ' CB ' ' A' ' 27' ' ' SER . 0.2 OUTLIER -67.63 -40.86 84.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.09 . . . . 0.0 110.295 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.546 ' O ' ' HB ' ' A' ' 93' ' ' ILE . 15.2 t-160 -57.16 -18.8 16.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.617 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 1.07 HD22 ' CD1' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -56.35 -70.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 1.173 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -53.04 -52.18 59.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -53.18 -27.14 19.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.546 ' HB ' ' O ' ' A' ' 89' ' ' HIS . 0.1 OUTLIER -68.06 -36.83 76.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.613 ' CA ' ' HG3' ' A' ' 153' ' ' MET . . . -59.18 -53.5 45.79 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.455 1.097 . . . . 0.0 110.98 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -54.73 -48.08 73.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 0.796 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -37.3 87.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 110.304 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.602 ' CG ' ' N ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER -49.88 -49.97 47.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.602 ' N ' ' CG ' ' A' ' 97' ' ' MET . 22.9 t0 -38.35 -31.26 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 97' ' ' MET . 11.8 t-160 -52.82 -62.83 1.39 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.602 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -148.41 88.49 1.64 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 1.034 HD12 HG21 ' A' ' 106' ' ' VAL . 0.2 OUTLIER -129.52 98.06 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.362 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.885 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 2.2 pt20 160.05 51.01 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.885 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.2 Cg_endo -75.0 -12.42 21.51 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.509 1.794 . . . . 0.0 110.968 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.72 ' O ' HD12 ' A' ' 105' ' ' LEU . 0.5 OUTLIER -161.07 3.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.72 HD12 ' O ' ' A' ' 104' ' ' THR . 2.0 mt 103.52 41.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 1.034 HG21 HD12 ' A' ' 101' ' ' ILE . 1.4 m -50.32 -86.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.893 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 0.0 OUTLIER -48.35 -22.33 0.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.283 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.566 ' O ' ' HB3' ' A' ' 111' ' ' ALA . 3.0 mm-40 -65.78 -52.54 49.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 1.152 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 0.5 OUTLIER -68.03 -63.01 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.236 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 1.149 ' N ' HD12 ' A' ' 109' ' ' LEU . . . -48.26 -23.13 0.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.893 ' HB2' ' O ' ' A' ' 107' ' ' ARG . . . -68.26 -52.6 32.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.577 1.173 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 1.152 ' HG3' ' O ' ' A' ' 109' ' ' LEU . 0.6 OUTLIER -49.46 -39.15 32.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 1.086 ' CE2' HD11 ' A' ' 155' ' ' LEU . 0.0 OUTLIER -61.17 -50.26 73.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 111.036 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.783 ' HG3' HD12 ' A' ' 155' ' ' LEU . 1.1 ttm -52.81 127.57 23.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -142.77 99.53 3.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 109.354 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -76.57 101.06 1.48 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.44 ' C ' HD22 ' A' ' 118' ' ' LEU . 2.9 m -154.82 -52.56 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.532 0.784 . . . . 0.0 109.974 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.449 HD12 ' HA ' ' A' ' 122' ' ' ASP . 1.9 mm? 70.63 91.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.593 ' O ' ' CB ' ' A' ' 120' ' ' GLU . 1.7 m -140.05 74.15 1.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.991 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.593 ' CB ' ' O ' ' A' ' 119' ' ' SER . 4.3 mt-10 152.41 2.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.571 ' CB ' ' O ' ' A' ' 120' ' ' GLU . 1.8 mm-40 91.53 49.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 121' ' ' GLU . 3.9 t70 83.05 123.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.447 ' O ' HD21 ' A' ' 127' ' ' LEU . 0.0 OUTLIER -102.13 132.17 48.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.558 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -118.4 -14.25 9.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.472 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 4.6 m120 -69.36 -40.27 77.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.647 ' SG ' HD23 ' A' ' 127' ' ' LEU . 14.2 p -51.49 -53.54 36.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 108.272 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.85 ' HA ' ' CE1' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -57.45 -68.62 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -44.41 -28.24 0.53 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.145 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.484 ' HB2' ' O ' ' A' ' 126' ' ' CYS . 7.2 mttt -63.46 -33.74 76.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.977 ' O ' HG12 ' A' ' 134' ' ' VAL . . . -71.35 -41.05 70.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.793 ' N ' ' CZ ' ' A' ' 177' ' ' PHE . 0.2 OUTLIER -48.17 -43.67 31.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.677 ' O ' ' HB ' ' A' ' 136' ' ' THR . 5.6 m-20 -63.84 -50.72 67.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.742 ' CB ' HD13 ' A' ' 109' ' ' LEU . 6.9 mm-40 -53.81 -63.86 1.01 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 110.294 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.977 HG12 ' O ' ' A' ' 130' ' ' ALA . 0.2 OUTLIER -53.91 -36.75 31.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.47 ' HB2' ' SD ' ' A' ' 148' ' ' MET . 0.1 OUTLIER -78.86 4.14 14.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.677 ' HB ' ' O ' ' A' ' 132' ' ' ASP . 0.6 OUTLIER -121.08 -18.36 7.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.366 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.754 ' HB3' ' CE1' ' A' ' 138' ' ' PHE . . . -99.57 -51.21 3.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 1.109 ' CZ ' HD23 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -118.78 57.39 3.24 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.703 ' HD3' ' C ' ' A' ' 137' ' ' ALA . 18.3 Cg_endo -74.97 147.27 33.82 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.413 1.744 . . . . 0.0 110.968 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.841 ' N ' ' CB ' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 167.67 -154.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.609 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 11.5 m-20 -96.82 -111.25 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . 0.589 ' HA ' ' CE2' ' A' ' 185' ' ' TYR . 5.0 ptt? -60.68 -38.45 85.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . 0.579 ' HG2' ' HB3' ' A' ' 140' ' ' ARG . 0.0 OUTLIER -63.2 -57.92 8.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.278 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . 0.841 ' CB ' ' N ' ' A' ' 140' ' ' ARG . 2.4 t30 -69.73 -59.43 2.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.627 ' OD2' ' CE1' ' A' ' 185' ' ' TYR . 77.3 m-20 -40.44 -53.03 2.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 142' ' ' MET . 11.4 ttpt -62.42 -33.83 75.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.562 ' HB3' ' O ' ' A' ' 144' ' ' ASN . . . -61.43 -55.1 35.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . 0.685 ' HA ' HG21 ' A' ' 134' ' ' VAL . 1.1 mtp -48.25 -57.86 5.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 111.031 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.953 HD23 HD11 ' A' ' 90' ' ' LEU . 9.4 mp -53.45 -43.61 68.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 109.349 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.734 HG21 HD11 ' A' ' 101' ' ' ILE . 0.4 OUTLIER -52.62 -31.9 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.269 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' MET . . . . . 0.9 ' HG3' HG11 ' A' ' 134' ' ' VAL . 40.5 mmm -60.82 -54.81 40.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 111.03 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . 0.891 HG21 ' HB2' ' A' ' 177' ' ' PHE . 43.1 p -48.23 -40.58 24.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.419 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' MET . . . . . 0.772 ' SD ' ' O ' ' A' ' 153' ' ' MET . 0.0 OUTLIER -67.83 -27.8 67.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.968 ' C ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -58.82 -50.94 72.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 109.281 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 1.086 HD11 ' CE2' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -55.05 -55.56 29.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.986 ' HA ' HG22 ' A' ' 170' ' ' VAL . . . -60.49 -51.31 70.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 156' ' ' ALA . 4.8 tmtt? -37.61 -42.93 0.58 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . 0.958 ' O ' ' N ' ' A' ' 163' ' ' ALA . 21.9 mmmt -81.3 -63.89 1.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . 1.108 HG13 ' CG2' ' A' ' 170' ' ' VAL . 2.4 p -84.58 155.07 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.247 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 1.091 ' CB ' HG11 ' A' ' 170' ' ' VAL . . . 65.46 34.76 7.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 165.36 -13.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.024 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . 0.629 ' CB ' ' O ' ' A' ' 158' ' ' LYS . 0.2 OUTLIER -152.69 -39.58 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.569 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 0.958 ' N ' ' O ' ' A' ' 158' ' ' LYS . . . -110.12 98.18 33.73 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' A' ' 162' ' ' HIS . 18.4 Cg_endo -74.99 99.55 1.27 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.512 1.796 . . . . 0.0 110.992 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . 0.464 ' O ' HD22 ' A' ' 166' ' ' LEU . 1.2 m -141.77 -76.32 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.039 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.779 HD12 ' HB2' ' A' ' 168' ' ' ARG . 0.2 OUTLIER -143.57 91.86 2.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . 0.873 ' HB2' HD21 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -55.03 -23.18 18.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . 0.779 ' HB2' HD12 ' A' ' 166' ' ' LEU . 0.0 OUTLIER -58.84 -67.86 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . 0.473 ' O ' ' OG1' ' A' ' 173' ' ' THR . 21.7 t70 -54.33 -34.61 61.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' VAL . . . . . 1.108 ' CG2' HG13 ' A' ' 159' ' ' VAL . 0.4 OUTLIER -49.47 -53.55 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . 1.157 ' CD2' ' HB2' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -60.07 -48.64 80.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.148 . . . . 0.0 111.005 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 172' ' ' HIS . . . . . 0.672 ' O ' ' CB ' ' A' ' 176' ' ' ASN . 0.5 OUTLIER -53.17 -37.32 61.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.568 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . 1.067 HG21 ' CB ' ' A' ' 155' ' ' LEU . 2.9 m -53.6 -51.11 64.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 110.421 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 174' ' ' THR . . . . . 0.7 ' HA ' ' HB ' ' A' ' 152' ' ' THR . 28.3 p -57.25 -68.62 0.21 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 0.0 110.395 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 175' ' ' VAL . . . . . 1.127 HG21 HG22 ' A' ' 21' ' ' VAL . 55.7 t -74.92 15.03 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . 0.719 ' ND2' ' CD1' ' A' ' 177' ' ' PHE . 0.1 OUTLIER -77.13 -56.68 4.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . 0.891 ' HB2' HG21 ' A' ' 152' ' ' THR . 5.2 m-30 -63.33 -53.84 46.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.433 1.083 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . 0.99 HD11 HD21 ' A' ' 90' ' ' LEU . 3.2 mt -51.06 -50.31 25.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . 0.418 ' N ' HG21 ' A' ' 17' ' ' THR . 12.0 t-20 -58.41 -39.65 80.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 180' ' ' GLN . . . . . 0.436 ' HG3' ' NH1' ' A' ' 124' ' ' ARG . 0.0 OUTLIER -93.76 0.25 56.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.295 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.897 ' ND2' HD22 ' A' ' 182' ' ' LEU . 44.5 t30 -98.07 -148.49 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . 0.897 HD22 ' ND2' ' A' ' 181' ' ' ASN . 0.0 OUTLIER -96.24 49.19 1.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.336 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 183' ' ' PHE . . . . . 1.171 ' CE1' HG21 ' A' ' 16' ' ' ILE . 0.0 OUTLIER 24.58 97.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.087 . . . . 0.0 110.991 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 184' ' ' SER . . . . . 0.44 ' CB ' ' HB2' ' A' ' 187' ' ' ARG . 3.5 m 65.23 90.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.043 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 185' ' ' TYR . . . . . 0.627 ' CE1' ' OD2' ' A' ' 145' ' ' ASP . 0.1 OUTLIER -41.71 -56.05 2.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 186' ' ' VAL . . . . . . . . . . . . . 18.3 t -47.75 -38.19 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.503 ' O ' HG22 ' A' ' 190' ' ' VAL . 0.0 OUTLIER -54.12 -45.11 71.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.334 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 188' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -63.8 -44.03 94.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.9 -53.73 53.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . 0.503 HG22 ' O ' ' A' ' 187' ' ' ARG . 28.0 m -60.94 -43.35 95.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 3.3 ttt-85 -54.86 -46.05 74.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.248 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -58.08 -48.27 80.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.03 147.17 43.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 194' ' ' MET . . . . . . . . . . . . . 12.0 ttp 69.1 141.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.981 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 ppp? . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.533 0.206 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -177.97 150.52 0.62 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.5 p -132.56 98.22 4.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.039 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -132.15 144.96 51.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 110.303 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.442 ' O ' HG13 ' A' ' 5' ' ' VAL . 14.7 p -129.74 115.9 35.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.5 m -168.35 143.7 3.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.018 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -174.99 122.42 0.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -153.07 -170.74 19.67 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.483 1.114 . . . . 0.0 111.038 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.8 m -135.79 -176.19 4.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.746 . . . . 0.0 109.986 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -145.79 117.5 0.99 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.509 1.131 . . . . 0.0 110.966 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -171.57 105.47 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 132.44 -100.21 0.41 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -170.03 -44.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 0.759 . . . . 0.0 109.299 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.46 ' CG ' ' HB2' ' A' ' 183' ' ' PHE . 1.7 mptp? -108.06 26.52 10.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -60.55 -44.98 95.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.61 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.735 HG12 HG21 ' A' ' 83' ' ' ILE . 5.1 tp -53.58 -32.34 20.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 1.021 HG22 HG13 ' A' ' 175' ' ' VAL . 3.3 m -52.75 -39.47 62.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.392 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -50.52 -44.12 56.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 23' ' ' GLY . 4.2 mm? -64.8 -30.62 71.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.139 ' CD1' HD22 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -59.46 -49.13 78.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.88 ' H ' HG21 ' A' ' 175' ' ' VAL . 0.4 OUTLIER -54.94 -58.28 4.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.793 ' CD2' ' HA3' ' A' ' 39' ' ' GLY . 5.1 t80 -61.62 -29.76 70.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.978 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -75.68 -35.43 46.17 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 1.236 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 7.3 t80 -52.58 -58.71 5.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 0.748 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.931 HD22 ' CE1' ' A' ' 171' ' ' PHE . 0.3 OUTLIER -58.5 -41.05 84.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.256 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.804 ' HB2' HD12 ' A' ' 35' ' ' LEU . 1.6 tt0 -54.45 -34.05 60.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.575 ' CB ' ' O ' ' A' ' 88' ' ' ARG . 3.4 t -70.68 -99.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.975 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.425 ' N ' ' OG ' ' A' ' 27' ' ' SER . 10.2 t -136.41 19.37 3.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 110.049 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.646 ' CA ' ' HB1' ' A' ' 91' ' ' ALA . . . -57.33 -99.54 0.01 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.525 1.141 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.659 ' SG ' ' HB1' ' A' ' 160' ' ' ALA . 0.9 OUTLIER -97.94 -96.3 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.515 ' O ' ' N ' ' A' ' 34' ' ' GLU . 9.2 p -146.54 153.03 39.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.371 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.35 -53.63 4.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 110.335 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.866 ' O ' HG23 ' A' ' 37' ' ' VAL . 35.5 tt0 -58.72 -27.83 65.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.713 ' C ' HD23 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -66.28 -56.76 9.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 110.326 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 1.062 HD23 ' N ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -47.56 -32.31 5.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 1.062 ' N ' HD23 ' A' ' 35' ' ' LEU . 1.1 tp10 -69.95 -46.92 64.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.866 HG23 ' O ' ' A' ' 33' ' ' GLN . 2.2 t -64.38 -57.85 9.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.072 ' HB2' ' CD2' ' A' ' 171' ' ' PHE . 5.2 mt -67.4 -40.42 85.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.793 ' HA3' ' CD2' ' A' ' 22' ' ' PHE . . . -47.94 -54.05 12.79 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.556 ' HG3' ' O ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -56.86 74.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.77 . . . . 0.0 110.32 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.615 ' N ' ' O ' ' A' ' 39' ' ' GLY . 0.3 OUTLIER -119.37 119.74 34.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.335 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -100.5 106.67 44.27 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.496 ' O ' ' C ' ' A' ' 44' ' ' VAL . 18.5 Cg_endo -74.95 -35.4 3.21 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.478 1.778 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.769 HG13 ' N ' ' A' ' 45' ' ' GLN . 2.1 p 33.2 -150.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.143 . . . . 0.0 109.332 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.769 ' N ' HG13 ' A' ' 44' ' ' VAL . 0.8 OUTLIER 156.64 164.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.28 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 47' ' ' TYR . . . -155.41 106.45 2.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.562 ' O ' ' CB ' ' A' ' 48' ' ' TRP . 40.9 t80 -34.53 134.07 0.23 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 111.008 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.562 ' CB ' ' O ' ' A' ' 47' ' ' TYR . 1.0 OUTLIER 156.18 127.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 107.956 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 50' ' ' ALA . 6.5 tt0 -152.87 84.99 1.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 110.242 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -36.46 115.72 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.474 ' O ' ' C ' ' A' ' 52' ' ' LEU . 0.5 OUTLIER -72.96 111.97 8.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.474 ' C ' ' O ' ' A' ' 51' ' ' ASP . 4.3 mm? -34.33 145.4 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -161.02 167.38 26.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.297 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.77 165.38 0.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -70.02 95.13 0.92 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 71.78 -68.16 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 76.2 -58.65 0.53 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 110.287 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.2 t -153.49 149.52 27.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.388 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -99.24 113.5 25.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' A' ' 62' ' ' GLN . . . -111.32 63.73 0.27 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.532 1.145 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.4 m 69.8 -63.13 0.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 0.772 . . . . 0.0 109.979 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 60' ' ' GLY . 0.9 OUTLIER -175.97 115.81 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.319 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -166.87 167.91 14.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.8 t 64.81 120.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.969 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 66' ' ' SER . 3.0 ptt-85 -151.38 127.68 10.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 110.269 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 65' ' ' ARG . 88.1 p -36.42 149.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.036 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.441 ' HD2' ' HB2' ' A' ' 50' ' ' ALA . 0.7 OUTLIER -143.84 171.46 14.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.097 . . . . 0.0 110.986 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -90.88 150.42 21.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -156.75 161.03 39.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 147.17 119.63 1.15 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.17 151.04 32.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 0.0 110.319 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.433 HG23 ' HE2' ' A' ' 14' ' ' LYS . 15.9 tt -170.54 114.81 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.9 101.85 3.9 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -61.62 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.497 1.788 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 175.36 -57.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.1 m -39.33 122.72 1.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.005 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -167.71 140.26 3.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.59 169.73 7.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.996 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -141.39 134.94 29.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 110.307 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.485 ' H ' HD12 ' A' ' 83' ' ' ILE . 0.3 OUTLIER -158.99 -159.47 0.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -108.55 -18.73 13.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 110.334 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.3 mt -73.23 -36.95 51.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.759 ' O ' HG22 ' A' ' 86' ' ' ILE . 48.7 mt -52.07 -43.6 37.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.573 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 37.9 m80 -63.0 -33.38 75.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.581 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.43 ' HA ' ' NH2' ' A' ' 88' ' ' ARG . 1.5 t-20 -59.0 -53.18 61.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.759 HG22 ' O ' ' A' ' 83' ' ' ILE . 7.0 tp -62.15 -31.31 51.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.968 ' HB1' ' HA ' ' A' ' 20' ' ' LEU . . . -54.05 -48.56 70.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.575 ' O ' ' CB ' ' A' ' 27' ' ' SER . 2.6 mtm105 -64.6 -49.19 72.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.335 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 1.111 ' O ' HG23 ' A' ' 93' ' ' ILE . 16.4 t-80 -51.69 -19.87 1.8 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.583 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 1.139 HD22 ' CD1' ' A' ' 20' ' ' LEU . 1.4 tp -54.08 -66.73 0.34 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 1.236 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -56.96 -41.9 79.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.2 -43.5 67.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.331 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 1.111 HG23 ' O ' ' A' ' 89' ' ' HIS . 1.4 pt -69.04 -27.36 35.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.433 ' N ' HG13 ' A' ' 93' ' ' ILE . . . -60.32 -56.48 24.25 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.514 1.134 . . . . 0.0 111.022 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -67.02 -49.77 64.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 0.781 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.484 ' HG3' ' N ' ' A' ' 97' ' ' MET . 0.4 OUTLIER -57.26 -40.35 77.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 110.283 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.928 ' HB3' HD12 ' A' ' 101' ' ' ILE . 1.6 mmt -55.11 -50.11 70.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -40.48 -28.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.443 ' N ' ' C ' ' A' ' 97' ' ' MET . 15.1 t60 -55.07 -47.13 75.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.605 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.457 ' N ' ' O ' ' A' ' 97' ' ' MET . 0.7 OUTLIER -145.04 86.6 1.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.928 HD12 ' HB3' ' A' ' 97' ' ' MET . 0.1 OUTLIER -141.87 102.71 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.956 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 4.1 tm0? 162.09 47.64 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.956 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.2 Cg_endo -75.01 -15.36 20.76 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.446 1.761 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.75 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 1.5 m -161.92 8.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.39 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.75 ' HB2' ' O ' ' A' ' 104' ' ' THR . 0.2 OUTLIER 99.85 39.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.113 . . . . 0.0 109.288 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 1.106 HG12 ' CE2' ' A' ' 138' ' ' PHE . 4.6 m -57.25 -75.05 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.94 ' H ' HG23 ' A' ' 106' ' ' VAL . 42.1 ptt85 -44.68 -45.9 9.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.665 ' O ' ' HB3' ' A' ' 112' ' ' GLN . 1.4 tt0 -68.09 -30.05 69.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.835 ' C ' HD13 ' A' ' 109' ' ' LEU . 0.9 OUTLIER -65.58 -73.16 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 1.104 ' O ' ' CD2' ' A' ' 113' ' ' PHE . . . -53.91 -48.41 70.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.733 ' HB3' ' O ' ' A' ' 107' ' ' ARG . . . -63.3 -15.97 58.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.672 ' CG ' ' O ' ' A' ' 109' ' ' LEU . 3.0 pt20 -59.06 -49.98 75.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 1.104 ' CD2' ' O ' ' A' ' 110' ' ' ALA . 11.9 p90 -67.42 -46.83 72.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 111.03 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.806 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 1.6 ptt? -50.91 118.63 3.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 116' ' ' GLY . 5.3 t-20 -145.33 -163.94 1.83 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 109.275 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 115' ' ' ASN . . . 35.18 -139.55 0.2 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.504 1.127 . . . . 0.0 110.971 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.461 ' O ' ' HB3' ' A' ' 118' ' ' LEU . 4.0 m -155.2 72.92 0.84 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.775 . . . . 0.0 109.973 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.575 ' O ' HD23 ' A' ' 118' ' ' LEU . 0.0 OUTLIER 73.6 91.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 109.276 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.94 139.59 41.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.012 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 62.74 27.49 16.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.302 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.402 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 0.1 OUTLIER 60.84 76.53 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 110.35 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.402 ' CB ' ' O ' ' A' ' 121' ' ' GLU . 15.8 t0 75.01 108.62 0.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.517 ' CG ' ' HB2' ' A' ' 126' ' ' CYS . 4.0 ptpp? -65.54 -60.16 3.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.691 ' HA ' HD11 ' A' ' 127' ' ' LEU . 3.5 mtp180 71.45 -50.34 0.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.347 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.482 ' O ' ' N ' ' A' ' 129' ' ' LYS . 12.0 p-10 -67.0 -38.61 86.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.546 ' HB3' ' CD1' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -52.96 -56.06 18.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 108.279 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.833 ' HA ' ' CZ ' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -53.84 -63.33 1.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.55 ' HB1' ' CD ' ' A' ' 180' ' ' GLN . . . -50.2 -34.09 21.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 125' ' ' ASN . 0.0 OUTLIER -58.27 -29.51 65.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.983 ' O ' HG12 ' A' ' 134' ' ' VAL . . . -72.75 -41.27 65.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 1.011 HD12 ' CD2' ' A' ' 177' ' ' PHE . 0.1 OUTLIER -42.92 -50.23 5.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.825 ' O ' HG23 ' A' ' 136' ' ' THR . 6.4 m-20 -69.83 -42.49 73.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.796 ' HB3' HD11 ' A' ' 109' ' ' LEU . 3.6 mm-40 -57.31 -60.82 3.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 1.039 HG23 ' CE2' ' A' ' 138' ' ' PHE . 0.1 OUTLIER -57.0 -33.42 42.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' A' ' 135' ' ' LYS . 9.8 ttpt -81.16 2.5 27.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.825 HG23 ' O ' ' A' ' 132' ' ' ASP . 2.8 p -117.42 -16.44 10.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 110.431 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.726 ' HB3' ' CD1' ' A' ' 138' ' ' PHE . . . -104.07 -53.14 2.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 1.106 ' CE2' HG12 ' A' ' 106' ' ' VAL . 0.1 OUTLIER -124.87 62.71 36.66 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.712 ' C ' ' HB2' ' A' ' 144' ' ' ASN . 18.2 Cg_endo -75.04 158.66 41.91 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.495 1.787 . . . . 0.0 110.958 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.769 ' N ' ' CB ' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 163.34 -167.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.268 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.625 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 1.7 m-20 -85.09 -105.08 0.05 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . 0.456 ' HA ' ' OH ' ' A' ' 185' ' ' TYR . 4.5 mtp -66.31 -31.88 72.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -65.08 -61.92 1.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . 0.769 ' CB ' ' N ' ' A' ' 140' ' ' ARG . 1.8 t30 -67.05 -56.41 10.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.717 ' O ' HD12 ' A' ' 149' ' ' LEU . 95.2 m-20 -38.45 -55.17 1.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.44 ' HB2' ' HH ' ' A' ' 185' ' ' TYR . 12.6 ttpt -66.1 -31.91 73.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.161 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.738 ' O ' ' CG1' ' A' ' 150' ' ' ILE . . . -61.66 -46.88 87.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . 0.897 ' HA ' ' HG2' ' A' ' 151' ' ' MET . 20.0 mtm -58.79 -45.56 89.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.772 ' O ' HG22 ' A' ' 152' ' ' THR . 1.4 mp -58.94 -53.21 60.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.738 ' CG1' ' O ' ' A' ' 147' ' ' ALA . 36.3 pt -51.58 -24.46 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' MET . . . . . 0.897 ' HG2' ' HA ' ' A' ' 148' ' ' MET . 0.1 OUTLIER -55.57 -56.93 14.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 111.018 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . 1.282 ' HG1' ' C ' ' A' ' 173' ' ' THR . 1.0 OUTLIER -60.91 -47.26 87.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.453 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' MET . . . . . 0.72 ' CE ' HD11 ' A' ' 93' ' ' ILE . 14.0 mtt -59.2 -28.62 66.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 111.03 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.953 ' C ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -58.6 -51.54 69.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 1.138 ' O ' HG23 ' A' ' 159' ' ' VAL . 5.0 mp -51.4 -60.03 3.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.252 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.826 ' HA ' HG22 ' A' ' 170' ' ' VAL . . . -54.63 -56.69 16.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.741 ' HA ' ' CB ' ' A' ' 161' ' ' SER . 1.3 tmtt? -46.64 -44.7 18.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . 0.607 ' O ' ' CB ' ' A' ' 162' ' ' HIS . 5.8 mptt -81.25 -43.67 18.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . 1.138 HG23 ' O ' ' A' ' 155' ' ' LEU . 15.5 t -72.42 -127.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.659 ' HB1' ' SG ' ' A' ' 30' ' ' CYS . . . -27.3 -61.99 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.256 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . 0.741 ' CB ' ' HA ' ' A' ' 157' ' ' LYS . 0.3 OUTLIER -51.23 -11.54 0.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.166 . . . . 0.0 109.978 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . 0.966 ' N ' ' O ' ' A' ' 159' ' ' VAL . 0.2 OUTLIER -151.75 -51.64 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.636 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 1.075 ' HB3' ' HA ' ' A' ' 159' ' ' VAL . . . -106.31 101.49 35.28 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' PRO . . . . . 0.435 ' HD3' ' O ' ' A' ' 162' ' ' HIS . 18.5 Cg_endo -74.98 46.52 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.472 1.775 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 3.1 m -97.66 -15.43 20.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.043 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.578 ' HB3' ' HB2' ' A' ' 169' ' ' ASP . 2.2 mp -144.01 117.01 8.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . 0.867 ' C ' HD22 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -95.12 -81.71 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . 0.65 ' N ' HD22 ' A' ' 38' ' ' LEU . 21.7 ptt180 -53.89 -40.77 66.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 0.0 110.325 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . 0.578 ' HB2' ' HB3' ' A' ' 166' ' ' LEU . 0.0 OUTLIER -60.2 -44.3 95.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' VAL . . . . . 0.826 HG22 ' HA ' ' A' ' 156' ' ' ALA . 1.2 t -52.53 -58.81 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . 1.072 ' CD2' ' HB2' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -51.87 -53.32 41.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.434 1.084 . . . . 0.0 111.007 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 172' ' ' HIS . . . . . 0.654 ' O ' ' CB ' ' A' ' 176' ' ' ASN . 0.5 OUTLIER -51.06 -36.71 41.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.552 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . 1.282 ' C ' ' HG1' ' A' ' 152' ' ' THR . 2.8 m -51.12 -57.69 8.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.413 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 174' ' ' THR . . . . . 0.763 ' N ' ' OG1' ' A' ' 152' ' ' THR . 24.9 p -53.15 -65.95 0.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.398 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 175' ' ' VAL . . . . . 1.021 HG13 HG22 ' A' ' 17' ' ' THR . 20.8 t -68.51 1.89 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . 0.83 ' CG ' HD12 ' A' ' 127' ' ' LEU . 0.0 OUTLIER -80.35 -59.4 2.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . 1.011 ' CD2' HD12 ' A' ' 131' ' ' LEU . 0.5 OUTLIER -57.51 -45.5 84.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . 0.889 HD11 HD21 ' A' ' 90' ' ' LEU . 7.7 mt -53.76 -56.8 7.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . 0.551 ' OD1' ' C ' ' A' ' 179' ' ' ASN . 0.7 OUTLIER -60.32 -36.48 78.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 180' ' ' GLN . . . . . 0.55 ' CD ' ' HB1' ' A' ' 128' ' ' ALA . 4.0 mm-40 -81.27 -13.72 58.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.686 ' N ' ' O ' ' A' ' 177' ' ' PHE . 36.3 t30 -102.4 -151.2 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . 0.561 ' H ' ' CG ' ' A' ' 181' ' ' ASN . 0.0 OUTLIER -94.29 52.71 1.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 183' ' ' PHE . . . . . 0.616 ' CZ ' HG21 ' A' ' 16' ' ' ILE . 0.4 OUTLIER 21.37 -89.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 184' ' ' SER . . . . . 0.611 ' N ' ' CG ' ' A' ' 183' ' ' PHE . 4.4 m -69.6 110.63 4.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.963 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 185' ' ' TYR . . . . . 0.601 ' CG ' ' N ' ' A' ' 186' ' ' VAL . 0.5 OUTLIER -93.88 -92.4 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 111.05 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 186' ' ' VAL . . . . . 0.601 ' N ' ' CG ' ' A' ' 185' ' ' TYR . 8.9 p -52.65 -47.18 50.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.56 HH21 ' HA ' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -51.82 -42.5 62.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 188' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 184' ' ' SER . 0.5 OUTLIER -58.68 -51.18 71.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.314 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.494 ' O ' ' OD1' ' A' ' 192' ' ' ASN . 0.8 OUTLIER -56.88 -44.79 82.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 72.4 t -61.33 -42.36 93.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 1.1 ttp85 -54.23 -55.35 28.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.352 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 192' ' ' ASN . . . . . 0.535 ' C ' ' ND2' ' A' ' 192' ' ' ASN . 0.3 OUTLIER -63.65 -43.24 97.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 193' ' ' GLU . . . . . 0.49 ' N ' ' CG ' ' A' ' 192' ' ' ASN . 0.4 OUTLIER -120.32 99.75 6.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 110.311 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 194' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -68.0 84.04 0.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 111.016 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 109.324 -179.981 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.553 0.216 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -151.56 -61.0 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.087 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 68.53 171.76 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 110.04 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -163.9 87.21 0.5 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.317 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 5' ' ' VAL . 9.2 p -170.8 49.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 p -164.73 123.99 1.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.048 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -150.01 105.57 3.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -38.71 110.29 0.13 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.424 1.078 . . . . 0.0 110.992 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.453 ' HB3' ' CD2' ' A' ' 15' ' ' HIS . 4.4 m -139.43 128.09 23.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 0.0 110.022 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -162.03 35.26 0.36 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.472 1.108 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.01 -176.39 2.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 0.764 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.482 ' O ' ' HB2' ' A' ' 13' ' ' ALA . . . 61.97 -91.43 0.07 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.482 ' HB2' ' O ' ' A' ' 12' ' ' GLY . . . 175.93 -62.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.766 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -99.54 50.04 0.93 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.275 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.453 ' CD2' ' HB3' ' A' ' 9' ' ' SER . 0.4 OUTLIER -62.2 -49.9 73.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.607 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.609 HG21 HG21 ' A' ' 83' ' ' ILE . 0.9 OUTLIER -54.67 -35.61 33.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.755 HG21 ' N ' ' A' ' 179' ' ' ASN . 8.9 m -55.57 -62.74 1.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.394 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.44 ' O ' HG12 ' A' ' 21' ' ' VAL . 52.9 t0 -46.0 -35.61 4.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.685 HD13 ' HE1' ' A' ' 84' ' ' HIS . 0.2 OUTLIER -63.15 -32.38 73.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.107 ' CD2' HD22 ' A' ' 90' ' ' LEU . 0.9 OUTLIER -63.26 -62.6 1.59 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 1.051 HG21 ' O ' ' A' ' 171' ' ' PHE . 2.9 p -56.89 -56.77 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 1.014 ' CD1' HD12 ' A' ' 35' ' ' LEU . 0.7 OUTLIER -56.9 -40.77 76.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.962 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -74.88 -32.83 56.44 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.469 1.106 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 1.214 ' CE2' ' HA ' ' A' ' 91' ' ' ALA . 0.3 OUTLIER -56.91 -54.3 48.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 0.77 . . . . 0.0 111.007 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.931 ' HB2' ' CZ ' ' A' ' 171' ' ' PHE . 0.6 OUTLIER -55.87 -43.98 77.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.354 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.828 ' HB2' HD13 ' A' ' 35' ' ' LEU . 12.4 tm0? -61.25 -32.66 72.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.277 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.575 ' HB3' ' HB3' ' A' ' 91' ' ' ALA . 35.9 t -63.59 -88.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.964 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.0 t -143.64 29.44 1.39 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 110.008 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.462 ' HA3' ' CE1' ' A' ' 24' ' ' PHE . . . -78.67 -137.63 1.29 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.542 1.151 . . . . 0.0 111.012 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.456 ' H ' ' CD1' ' A' ' 25' ' ' LEU . 30.0 t -55.0 -98.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.487 ' O ' ' N ' ' A' ' 34' ' ' GLU . 99.6 m -142.47 152.78 43.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 110.415 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 1.045 ' O ' HD23 ' A' ' 35' ' ' LEU . 2.6 tmm_? -42.18 -59.14 1.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.343 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.498 ' O ' ' HB ' ' A' ' 37' ' ' VAL . 14.6 tt0 -53.32 -26.33 18.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.266 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.657 ' C ' HD23 ' A' ' 25' ' ' LEU . 3.2 tp10 -67.69 -52.73 34.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 1.045 HD23 ' O ' ' A' ' 32' ' ' ARG . 0.1 OUTLIER -44.71 -43.6 8.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.631 ' N ' ' HG ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -78.92 -31.69 45.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.649 ' CG1' ' N ' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -61.47 -59.45 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.996 ' CD1' HD23 ' A' ' 167' ' ' LEU . 0.1 OUTLIER -81.97 -39.36 23.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.64 ' HA3' ' O ' ' A' ' 35' ' ' LEU . . . -49.24 -52.54 22.62 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.638 ' O ' ' CG ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -54.9 92.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 0.784 . . . . 0.0 110.346 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.748 ' HB2' HH21 ' A' ' 168' ' ' ARG . 13.6 pt-20 -141.46 141.3 33.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.415 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 3.1 mm? -99.75 133.39 21.79 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 42' ' ' LEU . 18.2 Cg_endo -74.96 85.02 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.503 1.791 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 43' ' ' PRO . 15.9 t -39.91 -46.24 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 69.72 -173.31 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.462 ' O ' ' C ' ' A' ' 47' ' ' TYR . . . 54.92 65.57 1.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.324 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.506 ' O ' ' C ' ' A' ' 48' ' ' TRP . 5.9 t80 -32.83 137.63 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 111.054 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.506 ' C ' ' O ' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -34.95 143.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 108.001 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 50' ' ' ALA . 2.7 pt-20 -106.67 110.0 22.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -36.95 153.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.475 ' O ' ' C ' ' A' ' 52' ' ' LEU . 4.8 p-10 -151.96 -50.38 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.475 ' C ' ' O ' ' A' ' 51' ' ' ASP . 0.3 OUTLIER -34.81 140.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -174.77 137.59 0.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.295 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -152.03 148.94 28.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -165.05 96.55 0.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.288 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.47 149.41 51.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -124.38 67.73 1.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.0 t -152.99 144.53 23.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 110.4 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 58.52 -174.26 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -61.3 136.23 47.89 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.4 p 177.22 -48.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 0.777 . . . . 0.0 109.99 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -54.08 -176.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.735 ' HA ' HH21 ' A' ' 65' ' ' ARG . . . 53.39 -172.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.3 104.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.978 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.735 HH21 ' HA ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -99.5 172.53 7.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 65' ' ' ARG . 2.2 m 157.39 125.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.986 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -157.36 172.31 18.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -126.88 159.32 34.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -109.23 -76.91 0.6 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.325 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 102.64 168.07 26.44 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.481 1.113 . . . . 0.0 111.027 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -149.07 108.32 3.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 0.793 . . . . 0.0 110.319 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.8 pt -90.43 171.15 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -134.86 136.63 25.56 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.315 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -177.57 3.55 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.502 1.79 . . . . 0.0 110.985 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -63.52 -174.85 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.1 -52.12 0.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.143 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 176.36 -43.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.263 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 68.23 133.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 110.014 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 177.26 179.54 0.24 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 110.273 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.528 ' O ' ' CB ' ' A' ' 81' ' ' GLU . 4.3 mp0 -141.48 -141.27 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.528 ' CB ' ' O ' ' A' ' 80' ' ' GLU . 0.8 OUTLIER 88.91 -66.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 110.285 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.3 pt -98.11 -29.48 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.353 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.609 HG21 HG21 ' A' ' 16' ' ' ILE . 14.5 mm -52.14 -41.86 34.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.685 ' HE1' HD13 ' A' ' 19' ' ' LEU . 92.8 m-70 -61.35 -43.33 99.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.605 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.467 ' O ' ' CG ' ' A' ' 88' ' ' ARG . 16.7 t-20 -58.9 -49.74 76.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.989 HG12 HG21 ' A' ' 186' ' ' VAL . 1.0 OUTLIER -63.37 -29.09 46.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.798 ' HA ' HD23 ' A' ' 20' ' ' LEU . . . -57.52 -56.43 21.96 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.525 1.141 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.467 ' CG ' ' O ' ' A' ' 85' ' ' ASN . 2.8 ptp180 -63.53 -36.32 83.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.586 ' CD2' HG13 ' A' ' 93' ' ' ILE . 19.4 t-160 -61.18 -22.21 64.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.575 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 1.107 HD22 ' CD2' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -58.22 -60.65 3.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 1.214 ' HA ' ' CE2' ' A' ' 24' ' ' PHE . . . -54.37 -55.47 28.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.581 1.175 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -52.08 -31.37 30.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.586 HG13 ' CD2' ' A' ' 89' ' ' HIS . 5.1 mt -69.12 -36.98 75.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -59.47 -51.55 58.43 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -54.12 -53.32 54.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 0.737 . . . . 0.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.469 ' CG ' ' HA ' ' A' ' 93' ' ' ILE . 12.6 pt-20 -64.97 -35.09 80.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.701 ' SD ' HG23 ' A' ' 150' ' ' ILE . 6.7 ttm -46.77 -50.64 17.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.958 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.586 ' HB2' ' HZ3' ' A' ' 157' ' ' LYS . 0.5 OUTLIER -40.79 -28.59 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.459 ' N ' ' C ' ' A' ' 97' ' ' MET . 12.9 t-160 -53.05 -43.57 66.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.587 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.472 ' N ' ' O ' ' A' ' 97' ' ' MET . 15.3 m-80 -144.3 87.48 1.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.819 HG23 ' CB ' ' A' ' 107' ' ' ARG . 1.0 OUTLIER -125.13 82.65 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.932 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 0.0 OUTLIER 153.67 52.02 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.932 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.1 Cg_endo -75.04 10.24 1.79 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.51 1.795 . . . . 0.0 110.955 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.752 HG22 ' C ' ' A' ' 103' ' ' PRO . 0.0 OUTLIER 159.62 3.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.431 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.727 HD23 ' O ' ' A' ' 105' ' ' LEU . 3.1 tt 106.58 26.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 1.009 HG22 ' CD2' ' A' ' 138' ' ' PHE . 1.0 OUTLIER -62.91 -63.51 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.819 ' CB ' HG23 ' A' ' 101' ' ' ILE . 0.0 OUTLIER -52.63 -41.98 64.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 110.3 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.606 ' O ' ' HB3' ' A' ' 112' ' ' GLN . 0.0 OUTLIER -61.83 -29.98 70.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.874 ' C ' HD13 ' A' ' 109' ' ' LEU . 0.7 OUTLIER -62.03 -73.85 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 1.131 ' O ' ' CD2' ' A' ' 113' ' ' PHE . . . -55.03 -47.83 74.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.595 ' O ' ' CG ' ' A' ' 114' ' ' MET . . . -61.84 -13.79 27.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.747 ' HG2' ' N ' ' A' ' 113' ' ' PHE . 1.2 pt20 -62.12 -47.4 84.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 110.324 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 1.131 ' CD2' ' O ' ' A' ' 110' ' ' ALA . 7.7 p90 -66.41 -42.41 87.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.848 ' HG3' ' O ' ' A' ' 114' ' ' MET . 0.0 OUTLIER -50.61 83.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 110.997 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.567 ' N ' ' O ' ' A' ' 113' ' ' PHE . 6.0 t30 -141.76 41.09 1.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -136.99 -163.73 9.84 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.532 1.145 . . . . 0.0 111.021 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.824 ' HA ' HD11 ' A' ' 166' ' ' LEU . 0.2 OUTLIER -156.8 30.17 0.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 0.779 . . . . 0.0 109.972 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.7 HD12 ' C ' ' A' ' 118' ' ' LEU . 0.2 OUTLIER 86.37 99.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.51 ' O ' ' CB ' ' A' ' 120' ' ' GLU . 0.7 OUTLIER -143.18 133.56 24.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.975 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.558 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 1.1 tp10 86.62 -33.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.083 . . . . 0.0 110.282 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.558 ' CB ' ' O ' ' A' ' 120' ' ' GLU . 1.7 mt-10 155.52 67.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 123' ' ' LYS . 1.8 m-20 54.11 78.75 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.858 ' O ' HD21 ' A' ' 127' ' ' LEU . 4.8 mtmt -35.69 101.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.759 ' HA ' HD11 ' A' ' 127' ' ' LEU . 0.0 OUTLIER -114.24 -14.99 12.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.324 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.443 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 76.5 m-20 -68.38 -43.27 77.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.461 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 7.8 m -53.37 -55.37 25.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 108.279 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 1.045 HD13 ' HA ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -52.43 -70.1 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -46.89 -33.52 4.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.461 ' HB2' ' O ' ' A' ' 126' ' ' CYS . 5.3 mttp -62.49 -24.22 67.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 1.108 ' O ' HG12 ' A' ' 134' ' ' VAL . . . -75.16 -39.53 60.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.761 ' N ' ' CZ ' ' A' ' 177' ' ' PHE . 0.1 OUTLIER -49.08 -47.23 45.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.821 ' O ' HG23 ' A' ' 136' ' ' THR . 0.0 OUTLIER -71.07 -41.38 70.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.652 ' HB3' HD11 ' A' ' 109' ' ' LEU . 0.1 OUTLIER -67.52 -59.6 3.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.1 . . . . 0.0 110.345 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 1.108 HG12 ' O ' ' A' ' 130' ' ' ALA . 6.4 p -48.8 -35.56 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.635 ' O ' ' CD ' ' A' ' 139' ' ' PRO . 8.8 ttpt -75.43 -62.16 1.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.821 HG23 ' O ' ' A' ' 132' ' ' ASP . 17.1 p -44.86 -25.21 0.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.417 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.539 ' C ' ' HD3' ' A' ' 139' ' ' PRO . . . -96.54 -43.84 7.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 1.009 ' CD2' HG22 ' A' ' 106' ' ' VAL . 0.1 OUTLIER -124.79 61.8 32.39 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 110.996 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.657 ' C ' ' HB2' ' A' ' 144' ' ' ASN . 18.4 Cg_endo -75.0 147.98 34.67 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.452 1.764 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.741 ' N ' ' CB ' ' A' ' 144' ' ' ASN . 0.1 OUTLIER 165.73 -170.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.284 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.665 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 13.6 m-20 -88.39 -104.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . 0.524 ' CG ' ' OH ' ' A' ' 185' ' ' TYR . 4.3 ttt -65.74 -32.07 73.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 21.4 mp0 -67.12 -62.67 1.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.262 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . 0.741 ' CB ' ' N ' ' A' ' 140' ' ' ARG . 1.5 t-20 -65.65 -58.95 4.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.665 ' CB ' ' O ' ' A' ' 141' ' ' ASP . 50.6 t0 -40.35 -52.4 2.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.532 ' O ' HD13 ' A' ' 150' ' ' ILE . 2.9 ttmt -68.29 -28.8 67.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.16 . . . . 0.0 109.268 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.583 ' N ' ' O ' ' A' ' 144' ' ' ASN . . . -62.58 -57.29 11.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . 0.744 ' SD ' HD13 ' A' ' 131' ' ' LEU . 0.4 OUTLIER -54.06 -48.06 70.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 110.983 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.743 ' N ' ' HG3' ' A' ' 148' ' ' MET . 0.2 OUTLIER -55.06 -41.94 72.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.132 . . . . 0.0 109.327 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.701 HG23 ' SD ' ' A' ' 97' ' ' MET . 0.6 OUTLIER -56.32 -30.43 30.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.249 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' MET . . . . . 0.852 ' O ' HD12 ' A' ' 155' ' ' LEU . 2.5 mmm -61.8 -52.71 63.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 110.998 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . 0.894 HG23 ' HA ' ' A' ' 174' ' ' THR . 0.6 OUTLIER -51.53 -53.98 32.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.44 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' MET . . . . . 0.518 ' N ' ' CG2' ' A' ' 152' ' ' THR . 0.3 OUTLIER -67.15 -24.77 65.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.947 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 1.074 ' C ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -56.71 -58.49 7.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 1.072 HD21 ' CZ ' ' A' ' 113' ' ' PHE . 5.1 mp -49.22 -47.12 46.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 1.08 ' O ' ' O ' ' A' ' 159' ' ' VAL . . . -64.48 -53.17 52.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.586 ' HZ3' ' HB2' ' A' ' 98' ' ' ASP . 0.0 OUTLIER -44.87 -45.68 10.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . 0.878 ' O ' ' N ' ' A' ' 163' ' ' ALA . 28.3 mmmt -80.45 -42.5 22.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . 1.08 ' O ' ' O ' ' A' ' 156' ' ' ALA . 61.7 t -108.47 148.7 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.783 ' HB3' ' O ' ' A' ' 159' ' ' VAL . . . 101.24 -53.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . 0.432 ' OG ' ' O ' ' A' ' 29' ' ' GLY . 0.2 OUTLIER -117.4 -13.01 10.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 109.995 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . 0.564 ' HB3' ' O ' ' A' ' 158' ' ' LYS . 55.5 t60 -121.94 -40.4 2.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.616 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 1.055 ' O ' HG13 ' A' ' 159' ' ' VAL . . . -130.12 91.5 39.01 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.346 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 51.68 2.85 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.54 1.811 . . . . 0.0 110.986 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . 0.794 ' O ' HD12 ' A' ' 166' ' ' LEU . 10.8 m -109.21 -5.18 16.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.028 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.957 HD23 ' CB ' ' A' ' 169' ' ' ASP . 3.8 mp -141.99 128.29 19.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.259 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . 0.996 HD23 ' CD1' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -101.88 -94.88 0.29 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.341 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . 0.748 HH21 ' HB2' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -51.89 -33.1 35.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.341 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . 0.957 ' CB ' HD23 ' A' ' 166' ' ' LEU . 1.4 m-20 -65.59 -45.94 81.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.333 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' VAL . . . . . 0.764 ' CG2' HG12 ' A' ' 159' ' ' VAL . 0.4 OUTLIER -56.16 -57.02 10.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . 1.051 ' O ' HG21 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -64.26 -51.75 62.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 110.977 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 172' ' ' HIS . . . . . 0.47 ' CB ' ' O ' ' A' ' 168' ' ' ARG . 23.7 t-160 -58.53 -25.11 62.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.59 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . 1.045 ' HA ' HD13 ' A' ' 127' ' ' LEU . 1.2 m -68.43 -44.68 74.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.423 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 174' ' ' THR . . . . . 0.894 ' HA ' HG23 ' A' ' 152' ' ' THR . 0.2 OUTLIER -63.98 -67.7 0.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.448 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 175' ' ' VAL . . . . . 1.004 HG23 ' HB ' ' A' ' 21' ' ' VAL . 1.5 t -63.13 7.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . 0.78 ' HB3' ' O ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -73.4 -58.36 3.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . 0.798 ' CE2' ' HB2' ' A' ' 151' ' ' MET . 3.8 m-30 -60.8 -47.29 87.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . 0.842 HG23 ' O ' ' A' ' 182' ' ' LEU . 1.9 mt -61.88 -45.69 98.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . 0.755 ' N ' HG21 ' A' ' 17' ' ' THR . 4.6 t30 -56.04 -39.24 71.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 180' ' ' GLN . . . . . 0.484 ' HB3' ' O ' ' A' ' 177' ' ' PHE . 9.7 tp60 -50.48 -100.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 0.0 110.337 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.47 ' C ' HD13 ' A' ' 182' ' ' LEU . 5.9 t30 -124.16 -2.9 8.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . 0.842 ' O ' HG23 ' A' ' 178' ' ' ILE . 0.2 OUTLIER -95.85 40.96 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.419 1.074 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 183' ' ' PHE . . . . . 0.535 ' CZ ' ' HB ' ' A' ' 16' ' ' ILE . 5.7 t80 -32.75 -35.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.975 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 184' ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' ' 182' ' ' LEU . 24.8 t -178.36 90.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.019 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 185' ' ' TYR . . . . . 0.602 ' CD1' ' OD2' ' A' ' 145' ' ' ASP . 0.4 OUTLIER -48.73 -56.28 9.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 111.019 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 186' ' ' VAL . . . . . 0.989 HG21 HG12 ' A' ' 86' ' ' ILE . 46.3 t -49.19 -43.96 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.44 ' O ' HG12 ' A' ' 190' ' ' VAL . 0.0 OUTLIER -53.99 -47.89 70.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 188' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -54.38 -43.08 71.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.64 ' O ' HD12 ' A' ' 189' ' ' LEU . 0.5 OUTLIER -57.16 -50.69 72.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . 0.44 HG12 ' O ' ' A' ' 187' ' ' ARG . 0.4 OUTLIER -54.88 -43.62 68.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -54.86 -47.49 74.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 32.7 m-20 -55.06 -45.7 75.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 193' ' ' GLU . . . . . 0.437 ' O ' ' CB ' ' A' ' 194' ' ' MET . 0.8 OUTLIER -162.87 154.21 17.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 110.303 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 194' ' ' MET . . . . . 0.437 ' CB ' ' O ' ' A' ' 193' ' ' GLU . 0.0 OUTLIER 76.82 144.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 3.7 p30 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.955 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.497 0.189 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 178.33 166.11 0.79 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.8 t -179.33 147.92 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.99 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -171.47 148.59 2.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.337 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.7 p -172.91 145.18 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.152 . . . . 0.0 109.297 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.7 m -112.44 155.44 24.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.021 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -83.11 134.19 35.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 109.308 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -103.06 -169.02 26.06 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.8 p -134.54 120.81 20.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 0.741 . . . . 0.0 110.013 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.481 ' O ' ' CB ' ' A' ' 11' ' ' LEU . . . -60.61 -114.64 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.571 1.17 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.481 ' CB ' ' O ' ' A' ' 10' ' ' GLY . 0.3 OUTLIER 164.27 179.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 0.779 . . . . 0.0 109.323 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -80.37 69.42 3.15 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.545 ' O ' ' CZ ' ' A' ' 183' ' ' PHE . . . -164.96 109.24 0.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 0.751 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.2 30.04 1.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 45.8 p-80 -61.58 -48.81 79.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.643 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.433 HD13 ' HA ' ' A' ' 16' ' ' ILE . 0.8 OUTLIER -52.17 -38.66 25.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.963 HG22 HG13 ' A' ' 175' ' ' VAL . 6.6 m -55.57 -62.34 1.75 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 110.425 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -46.63 -36.45 6.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.464 ' HG ' ' CE1' ' A' ' 84' ' ' HIS . 0.1 OUTLIER -62.56 -32.98 74.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.091 HD21 HD22 ' A' ' 90' ' ' LEU . 1.1 tm? -65.3 -41.37 94.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.96 ' HB ' HG21 ' A' ' 175' ' ' VAL . 0.4 OUTLIER -59.8 -61.79 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.787 ' CE1' ' HB3' ' A' ' 35' ' ' LEU . 2.0 t80 -66.17 -27.27 67.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.488 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -75.56 -41.87 28.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 1.203 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 0.2 OUTLIER -55.96 -53.09 61.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 0.761 . . . . 0.0 111.026 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 1.034 HD22 ' CE1' ' A' ' 171' ' ' PHE . 6.5 tp -56.48 -44.18 80.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.68 ' CA ' HD21 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -55.94 -34.78 65.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.604 ' N ' ' HG3' ' A' ' 26' ' ' GLN . 6.1 t -63.28 -74.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 110.008 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.7 t -143.01 47.9 1.51 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.012 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.635 ' HA3' HD12 ' A' ' 25' ' ' LEU . . . -87.62 -140.63 6.74 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.517 1.136 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.541 ' HB3' ' CG ' ' A' ' 34' ' ' GLU . 34.8 t -87.07 -93.1 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.476 ' H ' ' HB2' ' A' ' 34' ' ' GLU . 2.9 p -145.25 173.59 11.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.393 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -49.4 -54.61 16.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.918 ' O ' HG23 ' A' ' 37' ' ' VAL . 9.9 tt0 -51.11 -29.44 13.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.234 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.549 ' CG ' HD21 ' A' ' 25' ' ' LEU . 3.5 tp10 -67.84 -58.49 4.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.963 ' HG ' ' HB3' ' A' ' 25' ' ' LEU . 7.2 mp -45.17 -35.61 3.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.155 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 1.1 tt0 -66.33 -50.5 63.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.267 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.918 HG23 ' O ' ' A' ' 33' ' ' GLN . 1.9 t -64.09 -58.92 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.354 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.005 HD21 ' HG ' ' A' ' 167' ' ' LEU . 4.7 mt -66.96 -50.53 62.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.265 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.688 ' HA3' ' O ' ' A' ' 35' ' ' LEU . . . -56.43 -54.68 34.29 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.542 1.151 . . . . 0.0 111.042 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.898 HH21 HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -84.61 84.96 7.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.772 . . . . 0.0 110.319 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.413 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 0.6 OUTLIER -135.05 131.79 37.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.307 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.898 HD21 HH21 ' A' ' 40' ' ' ARG . 3.0 mm? -102.09 106.25 46.87 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 41' ' ' GLU . 18.1 Cg_endo -75.04 56.29 4.23 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.504 1.791 . . . . 0.0 110.944 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.7 t -41.12 -59.52 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.355 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 74.21 137.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 110.286 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.475 ' O ' ' C ' ' A' ' 47' ' ' TYR . . . -164.11 42.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.475 ' C ' ' O ' ' A' ' 46' ' ' ALA . 11.2 t80 -31.04 146.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 111.036 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.416 ' CB ' ' O ' ' A' ' 47' ' ' TYR . 0.1 OUTLIER 167.74 -75.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 107.965 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 39.81 -155.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.265 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 61.5 152.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.467 ' O ' ' C ' ' A' ' 52' ' ' LEU . 5.6 p-10 177.87 89.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.467 ' C ' ' O ' ' A' ' 51' ' ' ASP . 6.7 tp -34.77 143.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.59 149.06 44.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -136.77 166.23 24.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.04 143.86 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.272 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.445 ' O ' HD12 ' A' ' 56' ' ' LEU . 1.5 pp -155.83 88.07 1.1 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -171.08 177.57 3.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.33 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.1 t -86.59 161.25 18.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.395 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -164.32 172.64 13.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -148.77 179.32 25.69 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.5 1.125 . . . . 0.0 110.97 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -130.14 175.88 8.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 0.77 . . . . 0.0 109.971 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -120.34 -82.72 0.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -169.54 -176.81 2.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 109.331 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.49 166.42 29.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.003 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -153.06 157.69 40.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 65' ' ' ARG . 0.4 OUTLIER -37.67 155.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.003 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.448 ' CD2' ' N ' ' A' ' 68' ' ' ASN . 12.6 p90 -103.88 -49.07 3.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.095 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.448 ' N ' ' CD2' ' A' ' 67' ' ' PHE . 1.0 OUTLIER 164.96 -176.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -121.72 -97.36 0.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.269 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 158.81 161.83 11.42 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.441 1.088 . . . . 0.0 110.982 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.0 mmt85 -127.34 -175.44 3.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 0.745 . . . . 0.0 110.272 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.432 ' HA ' ' NE2' ' A' ' 162' ' ' HIS . 14.1 tt -141.58 165.9 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.246 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.65 98.08 4.22 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.145 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.5 ' O ' ' CB ' ' A' ' 75' ' ' ASP . 18.2 Cg_endo -75.01 -162.4 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.554 1.818 . . . . 0.0 111.003 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 74' ' ' PRO . 10.8 t70 82.3 145.89 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.9 m -152.24 -173.36 4.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.991 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -164.44 -164.34 0.83 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.7 m -155.74 175.86 13.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.009 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -156.17 -166.66 2.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 110.235 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' ' 81' ' ' GLU . 7.1 mp0 -126.65 133.98 50.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.506 ' CB ' ' O ' ' A' ' 80' ' ' GLU . 0.7 OUTLIER 160.01 179.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 110.292 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.513 HG22 ' N ' ' A' ' 83' ' ' ILE . 50.5 mm -101.76 -101.93 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.513 ' N ' HG22 ' A' ' 82' ' ' ILE . 7.0 mm -61.36 -42.71 94.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.646 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 92.4 m-70 -62.86 -38.22 89.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.627 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.44 ' HB3' ' O ' ' A' ' 82' ' ' ILE . 7.0 t30 -56.9 -52.48 64.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.82 HG21 ' HG2' ' A' ' 187' ' ' ARG . 4.3 pt -61.37 -30.39 47.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.838 ' HA ' HD23 ' A' ' 20' ' ' LEU . . . -55.45 -51.36 67.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.583 ' O ' ' CB ' ' A' ' 27' ' ' SER . 12.2 mtt180 -64.7 -44.88 88.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.499 ' O ' ' HB ' ' A' ' 93' ' ' ILE . 5.5 t60 -54.31 -22.15 11.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.613 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 1.091 HD22 HD21 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -55.88 -66.09 0.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 1.203 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -52.66 -55.29 23.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.97 -28.78 7.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.294 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.534 ' O ' ' N ' ' A' ' 97' ' ' MET . 0.1 OUTLIER -72.48 -32.25 41.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.515 ' HA2' ' CE ' ' A' ' 153' ' ' MET . . . -59.54 -51.73 57.32 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.498 1.124 . . . . 0.0 110.967 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -64.8 -51.84 60.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 0.753 . . . . 0.0 109.357 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' A' ' 99' ' ' HIS . 1.6 tp10 -61.45 -38.87 88.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.54 ' SD ' ' CD1' ' A' ' 150' ' ' ILE . 4.6 mmt -51.27 -50.54 59.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -41.31 -26.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.332 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.47 ' N ' ' C ' ' A' ' 97' ' ' MET . 3.6 t60 -57.37 -47.77 80.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.615 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.466 ' N ' ' O ' ' A' ' 97' ' ' MET . 0.7 OUTLIER -143.01 84.26 1.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.701 ' CG2' ' O ' ' A' ' 101' ' ' ILE . 0.1 OUTLIER -140.47 92.64 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.918 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 0.0 OUTLIER 151.97 52.15 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.316 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.918 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.2 Cg_endo -75.01 12.99 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.0 111.011 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.76 HG22 ' C ' ' A' ' 103' ' ' PRO . 0.0 OUTLIER 160.13 5.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.404 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.803 HD23 ' O ' ' A' ' 105' ' ' LEU . 4.6 tt 106.99 33.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.995 HG22 ' CD2' ' A' ' 138' ' ' PHE . 1.8 t -63.48 -81.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.806 ' N ' HG12 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -51.98 -32.22 32.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.321 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.429 ' CB ' ' HG ' ' A' ' 105' ' ' LEU . 2.9 mm-40 -63.11 -33.61 75.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.318 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 1.284 HD12 ' N ' ' A' ' 110' ' ' ALA . 0.0 OUTLIER -62.61 -59.89 4.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.358 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 1.284 ' N ' HD12 ' A' ' 109' ' ' LEU . . . -46.01 -58.05 3.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.776 ' HB2' HD11 ' A' ' 154' ' ' LEU . . . -60.4 -17.32 43.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.921 ' NE2' HD13 ' A' ' 109' ' ' LEU . 0.3 OUTLIER -64.57 -44.12 91.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 1.214 ' CD2' ' O ' ' A' ' 110' ' ' ALA . 3.1 p90 -63.38 -40.27 96.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 111.049 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.857 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 1.8 ttt -61.44 59.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.625 ' N ' ' O ' ' A' ' 113' ' ' PHE . 30.8 p-10 -146.51 149.34 33.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.442 ' HA3' ' NZ ' ' A' ' 123' ' ' LYS . . . 159.87 -146.78 13.23 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.47 1.107 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 118' ' ' LEU . 32.6 t -107.48 -18.08 13.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 110.004 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.569 HD12 ' HA ' ' A' ' 123' ' ' LYS . 0.1 OUTLIER -40.12 -80.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.761 ' C ' ' H ' ' A' ' 121' ' ' GLU . 0.3 OUTLIER -145.91 -169.92 3.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.953 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.611 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 1.6 mt-10 -61.43 27.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.761 ' H ' ' C ' ' A' ' 119' ' ' SER . 1.3 mt-10 95.65 84.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.239 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.991 ' CB ' HD23 ' A' ' 166' ' ' LEU . 2.4 m-20 -164.74 43.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.569 ' HA ' HD12 ' A' ' 118' ' ' LEU . 0.1 OUTLIER -63.56 -167.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.807 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 35.8 mtm180 -109.57 -96.27 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -47.73 -19.88 0.24 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.629 ' HB3' ' CD1' ' A' ' 113' ' ' PHE . 0.1 OUTLIER -42.11 -47.41 4.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 108.286 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 1.091 HD13 ' HA ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -54.16 -69.78 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.435 ' HB1' ' CD ' ' A' ' 180' ' ' GLN . . . -50.14 -29.58 9.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -59.61 -29.12 67.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 1.116 ' HB2' ' CE2' ' A' ' 113' ' ' PHE . . . -72.41 -47.51 48.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.842 ' HG ' HD21 ' A' ' 182' ' ' LEU . 0.1 OUTLIER -40.07 -48.83 2.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.814 ' O ' ' HB ' ' A' ' 136' ' ' THR . 0.9 OUTLIER -64.62 -52.79 55.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.715 ' O ' HG22 ' A' ' 136' ' ' THR . 13.1 mm-40 -53.77 -66.79 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 1.077 HG23 ' CE2' ' A' ' 138' ' ' PHE . 0.2 OUTLIER -53.12 -38.17 29.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.687 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 0.2 OUTLIER -80.12 13.67 2.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.814 ' HB ' ' O ' ' A' ' 132' ' ' ASP . 0.6 OUTLIER -128.93 -14.0 4.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.42 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.65 ' C ' ' HD3' ' A' ' 139' ' ' PRO . . . -102.38 -56.91 2.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 1.077 ' CE2' HG23 ' A' ' 134' ' ' VAL . 0.1 OUTLIER -124.43 47.8 2.12 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 111.0 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.699 ' HD3' ' N ' ' A' ' 138' ' ' PHE . 18.3 Cg_endo -74.95 157.54 42.91 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.464 1.771 . . . . 0.0 111.018 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.792 ' CB ' ' HB2' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 169.61 -144.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.529 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 1.5 m-20 -87.12 -146.83 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . 0.573 ' O ' ' OH ' ' A' ' 185' ' ' TYR . 13.1 ttp -54.79 -31.46 58.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 111.001 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.89 -62.23 1.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.285 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . 0.792 ' HB2' ' CB ' ' A' ' 140' ' ' ARG . 1.0 OUTLIER -74.36 -53.72 9.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.594 ' HA ' ' HE3' ' A' ' 148' ' ' MET . 29.0 t0 -38.98 -57.04 1.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.581 ' N ' ' OH ' ' A' ' 185' ' ' TYR . 10.7 ttmt -46.72 -30.83 2.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.724 ' HB3' ' O ' ' A' ' 144' ' ' ASN . . . -56.81 -55.03 39.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . 0.707 ' HA ' HG21 ' A' ' 134' ' ' VAL . 7.3 ptp -53.46 -41.14 65.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.965 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.502 ' N ' ' CG ' ' A' ' 148' ' ' MET . 0.1 OUTLIER -61.33 -41.93 97.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.588 ' O ' ' HG3' ' A' ' 153' ' ' MET . 17.4 mt -54.49 -27.42 17.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.168 . . . . 0.0 109.343 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' MET . . . . . 1.016 ' HB2' ' CZ ' ' A' ' 177' ' ' PHE . 0.5 OUTLIER -62.88 -48.44 79.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . 0.91 ' OG1' ' O ' ' A' ' 173' ' ' THR . 0.8 OUTLIER -54.15 -55.52 27.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.126 . . . . 0.0 110.388 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' MET . . . . . 0.588 ' HG3' ' O ' ' A' ' 150' ' ' ILE . 0.0 OUTLIER -65.79 -25.15 67.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 111.029 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.935 ' C ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -53.71 -60.06 3.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 1.002 ' HB2' HG21 ' A' ' 173' ' ' THR . 3.6 mp -50.71 -45.96 58.69 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 1.138 ' O ' ' N ' ' A' ' 160' ' ' ALA . . . -60.55 -64.59 0.9 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.608 ' O ' ' HB2' ' A' ' 162' ' ' HIS . 0.0 OUTLIER -44.67 -36.85 3.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.256 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . 0.826 ' O ' ' N ' ' A' ' 163' ' ' ALA . 4.5 mmtt -81.05 -38.68 27.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . 0.88 HG13 ' O ' ' A' ' 163' ' ' ALA . 6.8 t -100.01 -47.73 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 1.138 ' N ' ' O ' ' A' ' 156' ' ' ALA . . . -24.08 -69.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.92 -6.55 5.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 0.0 109.975 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . 0.656 ' CB ' ' O ' ' A' ' 158' ' ' LYS . 1.8 m-70 -87.17 -41.99 13.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 109.589 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 0.88 ' O ' HG13 ' A' ' 159' ' ' VAL . . . -132.23 89.61 36.85 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 49.26 2.21 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.462 1.769 . . . . 0.0 111.033 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . 0.598 ' O ' HD22 ' A' ' 166' ' ' LEU . 0.9 OUTLIER -94.71 -24.34 17.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.986 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.991 HD23 ' CB ' ' A' ' 122' ' ' ASP . 0.3 OUTLIER -142.85 118.1 10.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . 1.005 ' HG ' HD21 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -85.93 -77.04 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . 0.501 ' HG3' ' N ' ' A' ' 169' ' ' ASP . 0.4 OUTLIER -51.11 -39.96 57.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.289 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . 0.742 ' HB2' HD12 ' A' ' 166' ' ' LEU . 0.1 OUTLIER -59.96 -39.9 87.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 170' ' ' VAL . . . . . 0.892 ' CG1' HD13 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -52.21 -56.64 5.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . 1.034 ' CE1' HD22 ' A' ' 25' ' ' LEU . 1.1 m-30 -61.77 -52.15 65.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 172' ' ' HIS . . . . . 0.575 ' O ' ' CB ' ' A' ' 176' ' ' ASN . 4.7 t60 -52.22 -35.84 50.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.565 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . 1.091 ' HA ' HD13 ' A' ' 127' ' ' LEU . 26.5 m -61.05 -52.29 65.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 110.38 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 174' ' ' THR . . . . . 0.904 ' HA ' HG23 ' A' ' 152' ' ' THR . 40.2 p -59.46 -64.1 1.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.387 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 175' ' ' VAL . . . . . 0.963 HG13 HG22 ' A' ' 17' ' ' THR . 2.1 t -66.24 -0.14 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . 0.846 ' HB3' ' O ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -72.18 -59.35 2.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . 1.016 ' CZ ' ' HB2' ' A' ' 151' ' ' MET . 5.8 m-85 -52.04 -44.31 64.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . 0.806 ' CG2' HG23 ' A' ' 17' ' ' THR . 2.3 mt -63.24 -54.81 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . 0.549 ' C ' ' ND2' ' A' ' 179' ' ' ASN . 0.1 OUTLIER -53.88 -35.38 61.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 180' ' ' GLN . . . . . 0.596 ' HB2' ' O ' ' A' ' 177' ' ' PHE . 26.2 mm-40 -51.26 -101.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.583 1.177 . . . . 0.0 110.29 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.563 ' C ' HD13 ' A' ' 182' ' ' LEU . 17.5 t-20 -119.19 -5.33 10.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . 0.881 HD13 ' N ' ' A' ' 182' ' ' LEU . 0.0 OUTLIER -93.67 22.75 5.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 183' ' ' PHE . . . . . 0.586 ' N ' ' O ' ' A' ' 178' ' ' ILE . 1.3 t80 -35.28 -31.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 184' ' ' SER . . . . . 0.511 ' N ' ' O ' ' A' ' 182' ' ' LEU . 0.0 OUTLIER -154.55 119.32 4.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.051 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 185' ' ' TYR . . . . . 0.581 ' OH ' ' N ' ' A' ' 146' ' ' LYS . 0.8 OUTLIER -82.39 172.88 12.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 186' ' ' VAL . . . . . 0.492 ' O ' HG23 ' A' ' 190' ' ' VAL . 9.5 p -40.64 -35.62 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 109.339 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.82 ' HG2' HG21 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -53.88 -50.12 67.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.335 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 188' ' ' ASN . . . . . 0.426 ' O ' ' OD1' ' A' ' 192' ' ' ASN . 7.9 m-80 -61.56 -45.19 95.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.497 ' O ' ' ND2' ' A' ' 192' ' ' ASN . 5.6 mt -53.58 -44.43 69.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 186' ' ' VAL . 69.8 t -62.53 -39.59 85.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -50.9 -57.65 7.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.269 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 192' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 189' ' ' LEU . 1.3 p-10 -65.55 -51.61 58.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 193' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 192' ' ' ASN . 1.0 OUTLIER 37.19 79.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.327 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 194' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -155.46 165.7 35.78 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 0.0 110.959 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.496 0.188 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 73.39 165.25 0.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.248 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -131.76 -173.31 3.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.001 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.623 ' O ' HG22 ' A' ' 5' ' ' VAL . 0.4 OUTLIER -148.39 -68.28 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.623 HG22 ' O ' ' A' ' 4' ' ' GLU . 16.1 m 47.74 -170.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.316 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.519 ' HB2' ' CG ' ' A' ' 47' ' ' TYR . 2.0 m 171.56 -173.93 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.147 . . . . 0.0 110.008 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -154.05 143.29 21.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -137.09 -171.76 12.3 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.533 1.146 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 86.6 p -149.79 -176.35 5.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 109.997 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -95.92 -160.77 32.95 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.488 1.118 . . . . 0.0 110.967 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 22.6 tp -114.88 -88.23 0.57 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 0.79 . . . . 0.0 109.275 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 152.5 175.25 23.86 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.553 1.158 . . . . 0.0 111.003 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.91 -176.93 0.88 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.768 . . . . 0.0 109.352 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.522 ' HG2' ' CD1' ' A' ' 183' ' ' PHE . 0.5 OUTLIER -53.1 125.71 18.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -57.01 -46.7 82.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.592 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.823 HD12 ' CG2' ' A' ' 83' ' ' ILE . 0.6 OUTLIER -58.83 -55.06 25.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 1.005 HG22 HG13 ' A' ' 175' ' ' VAL . 5.3 m -49.6 -43.34 46.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.394 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.97 -39.31 59.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.559 ' O ' ' N ' ' A' ' 23' ' ' GLY . 1.2 mm? -64.23 -29.84 70.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.095 HD21 HD22 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -63.1 -49.4 74.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.956 ' HB ' HG21 ' A' ' 175' ' ' VAL . 0.5 OUTLIER -58.29 -62.46 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 1.039 ' CE1' HD12 ' A' ' 35' ' ' LEU . 0.9 OUTLIER -62.18 -32.8 73.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -75.64 -34.73 48.49 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.12 . . . . 0.0 111.041 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 1.262 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 5.6 t80 -52.86 -58.73 5.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.788 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.876 ' HB2' ' CZ ' ' A' ' 171' ' ' PHE . 0.5 OUTLIER -57.05 -43.16 81.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.713 ' HB2' HD13 ' A' ' 35' ' ' LEU . 17.0 tt0 -54.05 -33.73 58.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.536 ' CB ' ' O ' ' A' ' 88' ' ' ARG . 0.6 OUTLIER -68.03 -93.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.972 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.8 41.67 1.31 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.023 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.578 ' HA3' HD12 ' A' ' 25' ' ' LEU . . . -78.78 -119.2 0.25 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.445 ' HB3' ' HG2' ' A' ' 34' ' ' GLU . 49.7 t -77.68 -93.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 34' ' ' GLU . 0.6 OUTLIER -141.62 150.73 42.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 110.405 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.989 ' O ' HD23 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -42.71 -55.17 3.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 110.327 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -55.0 -26.14 34.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.711 ' C ' HD23 ' A' ' 25' ' ' LEU . 6.6 tp10 -68.45 -55.78 10.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 1.039 HD12 ' CE1' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -44.53 -36.51 3.01 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.484 ' N ' ' HG ' ' A' ' 35' ' ' LEU . 14.5 tm-20 -71.25 -46.28 61.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.81 HG13 HD23 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -61.0 -57.68 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.089 HD21 ' HB2' ' A' ' 167' ' ' LEU . 11.4 mt -69.22 -42.01 76.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.575 ' HA3' ' CD1' ' A' ' 22' ' ' PHE . . . -46.76 -41.81 13.85 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 177.08 98.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.566 0.803 . . . . 0.0 110.279 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.43 ' HB2' ' HA ' ' A' ' 37' ' ' VAL . 8.1 tm-20 -143.24 137.33 28.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -102.3 105.49 43.42 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.425 ' HD3' ' O ' ' A' ' 41' ' ' GLU . 18.3 Cg_endo -75.0 151.66 39.81 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.481 1.78 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.443 ' O ' ' C ' ' A' ' 45' ' ' GLN . 55.0 t -39.91 112.74 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.15 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 44' ' ' VAL . 3.0 tp60 -34.51 141.96 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 47' ' ' TYR . . . -158.2 47.0 0.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.113 . . . . 0.0 109.253 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.576 ' O ' ' CG ' ' A' ' 48' ' ' TRP . 51.3 t80 -33.89 151.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.576 ' CG ' ' O ' ' A' ' 47' ' ' TYR . 0.7 OUTLIER 156.76 139.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.164 . . . . 0.0 107.991 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.683 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 1.8 pp20? 173.65 -36.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.274 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.683 ' HB2' ' O ' ' A' ' 49' ' ' GLU . . . 162.66 151.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.42 ' O ' ' O ' ' A' ' 52' ' ' LEU . 10.7 t0 -161.14 115.91 2.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.42 ' O ' ' O ' ' A' ' 51' ' ' ASP . 11.2 tp 61.21 142.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -123.28 172.62 8.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -130.78 174.79 9.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.245 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -145.21 172.16 13.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -174.99 177.74 1.91 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.343 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -128.31 150.93 49.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 110.318 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.5 t -153.56 169.3 23.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.423 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -150.76 149.74 30.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.155 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 155.34 178.02 29.18 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.462 1.102 . . . . 0.0 110.969 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -106.88 172.16 6.97 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.48 0.753 . . . . 0.0 110.001 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.8 177.14 11.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.304 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -149.22 -176.28 5.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.346 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 29.2 m 67.48 139.56 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.011 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -111.29 -69.86 0.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.264 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.5 m 74.25 171.09 0.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.01 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -151.08 179.4 8.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.954 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -166.76 109.14 0.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -82.05 -174.17 4.92 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -166.65 164.76 37.96 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.554 1.158 . . . . 0.0 110.961 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.6 mtt-85 -147.57 159.77 43.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 0.776 . . . . 0.0 110.318 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 70.6 mt -136.87 138.54 45.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.498 ' OE2' ' CD1' ' A' ' 182' ' ' LEU . 0.0 OUTLIER -87.55 149.27 46.11 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.494 ' O ' ' CB ' ' A' ' 75' ' ' ASP . 18.2 Cg_endo -75.07 -58.84 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.487 1.783 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 74' ' ' PRO . 1.0 OUTLIER 81.56 170.83 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.49 -167.79 1.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.959 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -45.58 169.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 36.2 p -156.61 113.71 3.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.033 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.461 ' O ' ' CB ' ' A' ' 80' ' ' GLU . 35.9 mt-30 -126.26 -103.82 0.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.461 ' CB ' ' O ' ' A' ' 79' ' ' GLN . 0.0 OUTLIER 163.88 165.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.278 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.406 ' CB ' ' O ' ' A' ' 80' ' ' GLU . 2.5 mt-10 167.17 -83.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.322 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 27.2 mm -101.75 -15.84 7.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 109.295 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.823 ' CG2' HD12 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -52.33 -32.36 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.676 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 56.7 m80 -63.64 -60.18 3.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.565 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.428 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 15.8 t-20 -53.76 -47.14 70.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.572 HG22 HD13 ' A' ' 83' ' ' ILE . 0.1 OUTLIER -62.46 -30.27 48.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.329 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.942 ' HA ' HD22 ' A' ' 20' ' ' LEU . . . -56.43 -60.75 3.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.536 ' O ' ' CB ' ' A' ' 27' ' ' SER . 4.5 ptt85 -64.71 -37.68 88.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.411 ' HB3' ' HA ' ' A' ' 86' ' ' ILE . 19.2 t-160 -53.97 -24.19 15.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.602 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 1.095 HD22 HD21 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -54.66 -60.83 2.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 1.262 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -53.14 -56.27 17.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -49.95 -28.87 7.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.113 . . . . 0.0 110.29 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.613 HG22 ' O ' ' A' ' 90' ' ' LEU . 0.1 OUTLIER -70.8 -36.02 62.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.08 . . . . 0.0 109.286 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -58.56 -53.28 47.3 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.413 ' O ' ' OD1' ' A' ' 98' ' ' ASP . 22.3 t70 -61.29 -52.66 63.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 0.745 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -37.69 79.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.557 ' SD ' ' O ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -51.12 -49.36 60.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 111.017 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 99' ' ' HIS . 1.3 p-10 -38.55 -30.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.464 ' N ' ' O ' ' A' ' 97' ' ' MET . 25.6 t60 -54.66 -49.38 70.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.142 . . . . 0.0 109.615 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.494 ' N ' ' O ' ' A' ' 97' ' ' MET . 39.5 t-20 -146.49 87.62 1.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.356 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.632 HG22 ' O ' ' A' ' 101' ' ' ILE . 0.3 OUTLIER -145.36 101.07 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.915 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 0.0 OUTLIER 163.11 48.86 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 110.321 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.915 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.1 Cg_endo -75.04 7.13 3.01 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.544 1.813 . . . . 0.0 110.963 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.999 ' O ' HD22 ' A' ' 105' ' ' LEU . 0.8 OUTLIER 168.43 -3.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.421 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.999 HD22 ' O ' ' A' ' 104' ' ' THR . 0.2 OUTLIER 111.83 39.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 1.158 HG12 ' CE2' ' A' ' 138' ' ' PHE . 1.8 m -50.25 -70.56 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.337 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.784 ' H ' HG23 ' A' ' 106' ' ' VAL . 7.9 ttt-85 -48.39 -43.26 33.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.261 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.41 ' HB2' ' HB2' ' A' ' 105' ' ' LEU . 38.9 mt-30 -70.28 -21.92 62.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 1.359 ' O ' ' HG3' ' A' ' 112' ' ' GLN . 0.3 OUTLIER -69.07 -64.73 0.81 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 1.193 ' O ' ' CD2' ' A' ' 113' ' ' PHE . . . -68.08 -36.05 79.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.691 ' CB ' ' O ' ' A' ' 107' ' ' ARG . . . -63.21 -36.88 85.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 1.359 ' HG3' ' O ' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -51.68 -58.33 6.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.309 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 1.193 ' CD2' ' O ' ' A' ' 110' ' ' ALA . 1.0 OUTLIER -52.62 -43.43 65.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.825 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 9.3 tpt -53.36 131.87 38.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.972 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 42.7 m-20 -110.08 -77.81 0.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.401 ' O ' HD21 ' A' ' 166' ' ' LEU . . . 159.21 -31.26 0.44 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.461 1.101 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.417 ' HA ' ' NZ ' ' A' ' 123' ' ' LYS . 1.4 t -156.58 67.48 0.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 0.783 . . . . 0.0 110.042 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.911 HD21 ' SG ' ' A' ' 126' ' ' CYS . 1.2 mp -38.74 -71.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.565 ' C ' ' H ' ' A' ' 121' ' ' GLU . 0.3 OUTLIER -144.94 69.03 1.24 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.982 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.585 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 8.4 pt-20 45.78 12.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.266 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.585 ' CB ' ' O ' ' A' ' 120' ' ' GLU . 1.9 mt-10 154.35 84.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.801 ' O ' HD13 ' A' ' 118' ' ' LEU . 0.2 OUTLIER -157.33 25.89 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.422 ' HG3' HD12 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -77.3 93.75 4.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.318 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.787 ' HA ' HD11 ' A' ' 127' ' ' LEU . 2.0 ttm180 178.86 -50.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.263 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.453 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 2.4 m-20 -67.62 -43.31 80.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.911 ' SG ' HD21 ' A' ' 118' ' ' LEU . 0.1 OUTLIER -52.88 -57.55 9.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 108.288 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.9 HD13 ' HA ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -53.43 -63.12 1.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 0.0 109.327 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.994 ' O ' HD23 ' A' ' 131' ' ' LEU . . . -44.87 -44.06 9.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.453 ' HB2' ' O ' ' A' ' 125' ' ' ASN . 0.0 OUTLIER -62.28 -17.12 57.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 1.164 ' HB2' ' CD2' ' A' ' 113' ' ' PHE . . . -74.25 -49.45 23.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.994 HD23 ' O ' ' A' ' 128' ' ' ALA . 0.0 OUTLIER -46.9 -40.78 14.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.66 ' O ' HG23 ' A' ' 136' ' ' THR . 4.2 m-20 -65.61 -48.68 71.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.342 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.845 ' CB ' HD21 ' A' ' 109' ' ' LEU . 1.9 mm-40 -57.76 -58.78 6.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 1.133 HG23 ' CE2' ' A' ' 138' ' ' PHE . 0.2 OUTLIER -54.58 -39.36 45.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.565 ' NZ ' HD11 ' A' ' 131' ' ' LEU . 18.9 mtmt -74.71 -0.29 17.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.777 ' OG1' ' O ' ' A' ' 133' ' ' GLU . 2.4 p -116.78 -15.59 10.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.145 . . . . 0.0 110.387 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.716 ' HB3' ' CD1' ' A' ' 138' ' ' PHE . . . -101.52 -54.95 2.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 1.158 ' CE2' HG12 ' A' ' 106' ' ' VAL . 0.1 OUTLIER -125.8 64.77 51.82 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 111.015 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.62 ' C ' ' HB2' ' A' ' 144' ' ' ASN . 18.2 Cg_endo -75.0 157.15 42.93 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.499 1.789 . . . . 0.0 110.956 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.809 ' N ' ' CB ' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 169.66 -167.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.294 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.615 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 10.7 m-20 -86.46 -106.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 3.7 ptt? -69.21 -31.67 70.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.72 -60.25 3.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.331 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . 0.809 ' CB ' ' N ' ' A' ' 140' ' ' ARG . 1.3 t30 -67.33 -56.26 10.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.615 ' CB ' ' O ' ' A' ' 141' ' ' ASP . 55.4 t0 -39.08 -56.41 1.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.679 ' O ' HD13 ' A' ' 150' ' ' ILE . 4.2 ttmt -64.82 -28.39 69.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.639 ' HB3' ' O ' ' A' ' 144' ' ' ASN . . . -62.05 -57.19 12.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . 0.895 ' HE3' ' CD2' ' A' ' 177' ' ' PHE . 0.0 OUTLIER -50.54 -47.49 57.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 111.037 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.78 ' N ' ' HG3' ' A' ' 148' ' ' MET . 0.9 OUTLIER -52.7 -40.2 62.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.679 HD13 ' O ' ' A' ' 146' ' ' LYS . 1.3 mp -62.0 -25.13 36.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' MET . . . . . 1.044 ' HG2' HG11 ' A' ' 134' ' ' VAL . 0.0 OUTLIER -57.62 -57.79 11.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.969 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . 1.161 ' OG1' ' O ' ' A' ' 173' ' ' THR . 4.8 t -57.14 -48.42 78.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.422 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' MET . . . . . 0.444 ' CE ' HD12 ' A' ' 150' ' ' ILE . 49.1 mtm -64.45 -28.01 69.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.972 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 1.084 ' C ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -55.67 -53.92 50.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 1.185 ' O ' HG23 ' A' ' 159' ' ' VAL . 4.8 mp -47.44 -58.72 3.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.927 ' HA ' HG22 ' A' ' 170' ' ' VAL . . . -54.89 -52.12 63.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.738 ' HA ' ' CB ' ' A' ' 161' ' ' SER . 0.4 OUTLIER -46.03 -49.56 16.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.263 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . 0.63 ' HD3' HD23 ' A' ' 154' ' ' LEU . 0.1 OUTLIER -75.79 -43.47 46.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.309 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . 1.185 HG23 ' O ' ' A' ' 155' ' ' LEU . 7.2 t -71.86 -129.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.722 ' H ' HG21 ' A' ' 170' ' ' VAL . . . -25.65 -62.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . 0.738 ' CB ' ' HA ' ' A' ' 157' ' ' LYS . 0.5 OUTLIER -49.74 -12.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.003 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . 0.977 ' N ' ' O ' ' A' ' 159' ' ' VAL . 0.3 OUTLIER -151.53 -49.64 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.604 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 1.079 ' N ' ' O ' ' A' ' 159' ' ' VAL . . . -110.34 93.92 17.24 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' PRO . . . . . 0.462 ' HD3' ' O ' ' A' ' 162' ' ' HIS . 18.2 Cg_endo -74.97 61.53 5.66 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.545 1.813 . . . . 0.0 110.967 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.88 -47.23 3.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.983 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.63 HD12 ' CG1' ' A' ' 159' ' ' VAL . 0.0 OUTLIER -117.61 66.42 0.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.262 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . 1.089 ' HB2' HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -53.56 -70.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . 1.032 ' H ' HD13 ' A' ' 167' ' ' LEU . 4.8 ptt85 -46.55 -46.67 19.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.333 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . 0.59 ' N ' ' HG3' ' A' ' 168' ' ' ARG . 29.2 m-20 -65.07 -37.06 86.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.102 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 170' ' ' VAL . . . . . 0.927 HG22 ' HA ' ' A' ' 156' ' ' ALA . 1.2 t -51.77 -60.45 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . 1.031 ' CD2' ' HB2' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -53.2 -53.01 56.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 172' ' ' HIS . . . . . 0.498 ' O ' ' HB3' ' A' ' 176' ' ' ASN . 20.8 t-160 -52.16 -33.58 41.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.591 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . 1.161 ' O ' ' OG1' ' A' ' 152' ' ' THR . 48.9 m -60.05 -55.96 27.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.58 1.175 . . . . 0.0 110.42 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 174' ' ' THR . . . . . 0.562 ' HA ' ' OG1' ' A' ' 152' ' ' THR . 17.4 p -53.35 -64.8 0.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.412 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 175' ' ' VAL . . . . . 1.005 HG13 HG22 ' A' ' 17' ' ' THR . 11.7 t -69.82 8.43 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . 0.826 ' HB3' ' O ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -78.88 -54.9 5.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . 0.895 ' CD2' ' HE3' ' A' ' 148' ' ' MET . 0.8 OUTLIER -59.32 -52.78 64.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . 0.791 HD12 ' HA ' ' A' ' 175' ' ' VAL . 1.8 mt -51.66 -51.51 26.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -56.96 -39.93 75.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -92.87 2.93 56.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.95 ' OD1' HD22 ' A' ' 182' ' ' LEU . 6.7 t-20 -100.4 -147.43 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . 0.95 HD22 ' OD1' ' A' ' 181' ' ' ASN . 0.0 OUTLIER -96.67 42.36 1.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 183' ' ' PHE . . . . . 0.843 ' O ' ' CG ' ' A' ' 183' ' ' PHE . 1.7 t80 25.64 46.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 111.004 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 184' ' ' SER . . . . . 0.582 ' CB ' ' O ' ' A' ' 183' ' ' PHE . 1.7 m 153.34 132.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.103 . . . . 0.0 110.004 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 185' ' ' TYR . . . . . 0.601 ' CZ ' HG12 ' A' ' 186' ' ' VAL . 25.1 t80 -75.79 160.26 30.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 111.025 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 186' ' ' VAL . . . . . 0.601 HG12 ' CZ ' ' A' ' 185' ' ' TYR . 2.1 p -46.59 -41.82 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.565 ' HB2' ' CD2' ' A' ' 185' ' ' TYR . 7.0 ttt180 -54.59 -51.82 64.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 188' ' ' ASN . . . . . 0.424 ' ND2' HG12 ' A' ' 83' ' ' ILE . 0.8 OUTLIER -53.15 -44.11 67.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 24.4 tp -56.36 -51.21 69.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.333 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . 0.422 HG12 ' O ' ' A' ' 187' ' ' ARG . 0.4 OUTLIER -59.66 -45.51 94.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 191' ' ' ARG . . . . . 0.401 ' N ' ' CG1' ' A' ' 190' ' ' VAL . 10.2 mmt180 -54.4 -50.17 68.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.233 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -54.34 -46.45 72.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 193' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 194' ' ' MET . 1.0 OUTLIER 46.9 55.89 7.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.266 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 194' ' ' MET . . . . . 0.407 ' C ' ' O ' ' A' ' 193' ' ' GLU . 3.1 ptt? 36.67 38.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.507 0.194 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -86.34 146.98 26.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.2 p -157.07 -152.85 0.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.985 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -121.26 -40.12 2.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.416 HG12 ' N ' ' A' ' 6' ' ' SER . 78.3 t 64.38 -89.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.416 ' N ' HG12 ' A' ' 5' ' ' VAL . 0.5 OUTLIER 52.94 76.34 0.2 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.011 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -176.58 173.3 2.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 137.6 160.81 8.68 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.56 -75.28 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 0.769 . . . . 0.0 110.019 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.74 162.13 10.88 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.465 1.103 . . . . 0.0 111.01 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 63.11 147.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.431 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . 139.47 -28.47 2.56 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.488 1.118 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . 68.48 147.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 0.789 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.531 ' HD3' ' CD1' ' A' ' 183' ' ' PHE . 2.6 ttpp -143.12 115.63 8.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.09 -40.77 98.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.642 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.702 HD11 ' CE1' ' A' ' 84' ' ' HIS . 0.4 OUTLIER -53.26 -42.84 48.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.76 HG23 ' CG2' ' A' ' 178' ' ' ILE . 87.8 m -53.51 -45.99 69.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.368 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -50.84 -41.02 57.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 23' ' ' GLY . 3.9 mm? -65.12 -27.3 68.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.952 ' CG ' HD22 ' A' ' 90' ' ' LEU . 2.0 tm? -63.13 -42.75 99.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 1.135 ' HB ' HG21 ' A' ' 175' ' ' VAL . 0.4 OUTLIER -61.27 -61.68 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.845 ' CD1' ' HG ' ' A' ' 35' ' ' LEU . 3.7 t80 -61.36 -32.98 72.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -76.11 -36.14 41.54 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.452 1.095 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 1.159 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 1.9 t80 -51.85 -56.2 15.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 0.75 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 1.009 HD22 ' CE1' ' A' ' 171' ' ' PHE . 0.3 OUTLIER -58.97 -43.8 91.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.759 ' HB2' HD12 ' A' ' 35' ' ' LEU . 3.3 tt0 -54.06 -31.68 52.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.568 1.167 . . . . 0.0 110.278 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.568 ' CB ' ' O ' ' A' ' 88' ' ' ARG . 34.1 t -67.04 -96.59 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.009 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.43 33.65 1.31 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.008 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.432 ' HA3' HD12 ' A' ' 25' ' ' LEU . . . -77.42 -103.76 0.17 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.459 1.1 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.765 ' SG ' ' HB1' ' A' ' 160' ' ' ALA . 0.8 OUTLIER -88.76 -98.22 0.09 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.495 HG22 ' HG3' ' A' ' 32' ' ' ARG . 47.4 m -147.88 157.14 43.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.371 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.495 ' HG3' HG22 ' A' ' 31' ' ' THR . 0.0 OUTLIER -44.34 -53.03 7.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.296 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -59.55 -27.4 66.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.282 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.697 ' C ' HD23 ' A' ' 25' ' ' LEU . 2.0 tp10 -67.6 -55.01 15.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.1 . . . . 0.0 110.296 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 1.094 HD23 ' N ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -48.39 -32.96 8.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 1.094 ' N ' HD23 ' A' ' 35' ' ' LEU . 26.3 tt0 -70.85 -49.26 48.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.963 HG13 HD23 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -63.76 -56.86 14.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.963 HD23 HG13 ' A' ' 37' ' ' VAL . 9.7 mt -64.59 -43.84 92.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.817 ' HA3' ' CD2' ' A' ' 22' ' ' PHE . . . -59.82 -51.96 55.81 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.99 105.93 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 0.753 . . . . 0.0 110.292 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.411 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 1.5 tp10 -142.76 101.68 3.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 110.294 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 1.015 ' O ' HD23 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -96.93 109.11 47.42 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.467 ' O ' ' N ' ' A' ' 45' ' ' GLN . 18.3 Cg_endo -74.97 92.87 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.476 1.777 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 41.4 t -40.51 96.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 43' ' ' PRO . 2.5 tt0 38.71 90.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.524 ' O ' ' N ' ' A' ' 48' ' ' TRP . . . -78.93 56.45 1.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.45 ' O ' ' HB3' ' A' ' 48' ' ' TRP . 28.7 t80 -41.18 91.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.642 ' O ' ' CG ' ' A' ' 48' ' ' TRP . 0.8 OUTLIER 177.04 37.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.69 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 33.6 mt-10 -111.56 150.11 30.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.69 ' HB2' ' O ' ' A' ' 49' ' ' GLU . . . 161.45 82.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.475 ' O ' ' C ' ' A' ' 52' ' ' LEU . 0.6 OUTLIER -164.0 114.62 1.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.334 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.475 ' C ' ' O ' ' A' ' 51' ' ' ASP . 0.8 OUTLIER -34.9 -82.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -166.45 113.83 0.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.268 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -82.68 151.99 26.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -139.16 153.59 47.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.261 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.411 ' O ' HD12 ' A' ' 56' ' ' LEU . 1.8 pp -170.98 95.51 0.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -171.79 123.19 0.52 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 39.7 p -86.59 -78.29 0.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.435 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -163.1 -65.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.64 124.61 4.45 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.444 1.09 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.1 p 179.57 146.75 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 0.8 . . . . 0.0 109.972 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -174.9 129.58 0.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.428 1.08 . . . . 0.0 110.29 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -138.9 157.55 45.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 89.4 p -119.38 142.69 47.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.002 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 66' ' ' SER . 0.1 OUTLIER -152.71 -51.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 65' ' ' ARG . 0.3 OUTLIER -36.08 125.55 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.991 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -45.24 171.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.983 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -75.88 166.24 23.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 70' ' ' GLY . 1.1 tt0 -132.58 169.74 16.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 0.0 110.301 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 69' ' ' GLN . . . -37.87 -59.48 1.38 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.511 1.132 . . . . 0.0 111.04 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -106.66 88.96 2.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 0.0 110.329 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.2 tt -49.96 141.17 3.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.434 ' N ' ' OE1' ' A' ' 73' ' ' GLU . 5.0 pm0 -110.56 114.64 54.76 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 173.61 14.22 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.517 1.799 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 74.66 117.94 0.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 32.9 p 178.03 156.69 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.045 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 74.5 168.72 0.29 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 110.289 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.6 m 62.03 133.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.011 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.93 66.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -138.15 -76.28 0.38 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -117.24 53.03 0.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 110.266 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.558 ' H ' HD13 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -90.71 -22.32 6.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.477 ' O ' ' CG1' ' A' ' 86' ' ' ILE . 0.7 OUTLIER -52.79 -46.49 51.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.712 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 69.9 m80 -61.4 -36.69 81.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.646 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.525 ' O ' ' CG ' ' A' ' 88' ' ' ARG . 3.3 t30 -55.51 -51.26 67.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 1.015 HD13 HG21 ' A' ' 186' ' ' VAL . 2.5 pt -63.19 -27.39 43.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.901 ' HA ' HD23 ' A' ' 20' ' ' LEU . . . -55.51 -55.92 26.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.568 ' O ' ' CB ' ' A' ' 27' ' ' SER . 9.0 ptp180 -63.68 -40.92 98.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.267 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.532 ' NE2' ' CD1' ' A' ' 93' ' ' ILE . 11.8 t-160 -58.64 -18.73 32.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.584 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.952 HD22 ' CG ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -61.0 -67.36 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 1.159 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -48.93 -54.53 15.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.418 ' HB2' ' OG ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -51.91 -27.12 11.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.532 ' CD1' ' NE2' ' A' ' 89' ' ' HIS . 1.1 tp -69.29 -36.89 74.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.73 -54.82 30.9 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -63.1 -49.22 75.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 0.776 . . . . 0.0 109.327 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -60.66 -45.14 95.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.627 ' HG3' HD11 ' A' ' 150' ' ' ILE . 15.0 mmm -54.58 -30.37 54.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.102 . . . . 0.0 111.039 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 97' ' ' MET . 44.4 t0 -37.36 -32.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 97' ' ' MET . 0.6 OUTLIER -51.82 -48.68 63.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.605 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 97' ' ' MET . 1.2 t-20 -144.6 86.57 1.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.867 HG23 ' O ' ' A' ' 101' ' ' ILE . 0.7 OUTLIER -117.13 54.5 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.673 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 0.0 OUTLIER 157.26 58.59 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.365 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.673 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.3 Cg_endo -75.01 3.69 5.4 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.469 1.773 . . . . 0.0 110.985 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.712 ' O ' HD23 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -172.64 5.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.395 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.921 HD12 ' O ' ' A' ' 105' ' ' LEU . 0.5 OUTLIER 103.88 28.85 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 1.233 HG22 ' CE2' ' A' ' 138' ' ' PHE . 0.9 OUTLIER -64.27 -79.44 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.142 . . . . 0.0 109.305 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.925 ' N ' HG12 ' A' ' 106' ' ' VAL . 4.8 ttp180 -55.59 -21.55 17.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.328 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.468 ' O ' ' HB3' ' A' ' 112' ' ' GLN . 18.6 tt0 -65.27 -40.72 94.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 110.272 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 1.248 HD12 ' N ' ' A' ' 110' ' ' ALA . 0.2 OUTLIER -63.79 -61.32 2.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 1.248 ' N ' HD12 ' A' ' 109' ' ' LEU . . . -50.26 -53.6 27.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.43 -16.03 59.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.761 ' HG2' ' N ' ' A' ' 113' ' ' PHE . 0.7 OUTLIER -63.45 -46.79 84.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 1.139 ' CD2' ' O ' ' A' ' 110' ' ' ALA . 3.3 p90 -63.5 -43.17 98.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.827 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 2.0 ttm -52.58 119.06 4.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.437 ' CG ' ' N ' ' A' ' 116' ' ' GLY . 23.1 p-10 -140.61 -155.38 0.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.437 ' N ' ' CG ' ' A' ' 115' ' ' ASN . . . -160.11 60.73 0.3 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.525 1.141 . . . . 0.0 110.98 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.0 m -155.38 22.1 0.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 0.0 109.994 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.464 HD13 ' O ' ' A' ' 122' ' ' ASP . 3.8 mt -72.46 -92.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.656 ' C ' ' H ' ' A' ' 121' ' ' GLU . 3.5 t -144.21 57.06 1.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.008 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.529 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 0.8 OUTLIER 63.47 -11.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.279 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.656 ' H ' ' C ' ' A' ' 119' ' ' SER . 3.2 mt-10 158.52 77.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.464 ' O ' HD13 ' A' ' 118' ' ' LEU . 22.5 t70 -141.89 33.31 1.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.449 ' O ' ' O ' ' A' ' 122' ' ' ASP . 0.0 OUTLIER -58.61 -117.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.663 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 48.9 ttt180 68.27 -60.46 0.42 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.438 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 7.8 t-20 -68.81 -35.21 76.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.565 ' HB3' ' CD1' ' A' ' 113' ' ' PHE . 0.5 OUTLIER -48.74 -59.4 3.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 108.294 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.915 ' HA ' ' CZ ' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -51.31 -67.57 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -43.82 -33.04 1.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 125' ' ' ASN . 0.3 OUTLIER -55.79 -34.74 65.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.348 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 1.054 ' HB2' ' CD2' ' A' ' 113' ' ' PHE . . . -72.49 -38.37 68.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 1.038 HD23 ' HZ2' ' A' ' 135' ' ' LYS . 0.0 OUTLIER -48.3 -44.21 33.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 1.103 ' O ' ' OG1' ' A' ' 136' ' ' THR . 32.4 t0 -67.71 -62.11 1.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.665 ' HB3' HD13 ' A' ' 109' ' ' LEU . 3.9 mm-40 -52.01 -61.76 2.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 1.022 HG12 ' O ' ' A' ' 130' ' ' ALA . 9.6 p -58.4 -44.06 87.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 1.038 ' HZ2' HD23 ' A' ' 131' ' ' LEU . 0.4 OUTLIER -82.57 29.25 0.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 1.103 ' OG1' ' O ' ' A' ' 132' ' ' ASP . 35.0 p -160.34 34.33 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.351 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.646 ' C ' ' HD3' ' A' ' 139' ' ' PRO . . . -146.03 -63.11 0.32 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 1.233 ' CE2' HG22 ' A' ' 106' ' ' VAL . 0.8 OUTLIER -123.98 50.35 3.46 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.981 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.646 ' HD3' ' C ' ' A' ' 137' ' ' ALA . 18.3 Cg_endo -74.99 161.62 38.48 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.487 1.782 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.793 ' HB2' ' CG ' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 168.26 -144.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.596 ' O ' ' N ' ' A' ' 145' ' ' ASP . 6.9 m-20 -85.49 -147.35 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . 0.553 ' O ' ' CB ' ' A' ' 146' ' ' LYS . 0.1 OUTLIER -52.77 -35.22 56.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.995 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.11 -62.88 1.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.272 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . 0.793 ' CG ' ' HB2' ' A' ' 140' ' ' ARG . 0.9 OUTLIER -76.48 -52.99 8.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.596 ' N ' ' O ' ' A' ' 141' ' ' ASP . 36.1 t0 -41.31 -54.03 3.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.553 ' CB ' ' O ' ' A' ' 142' ' ' MET . 14.9 ttpt -53.31 -29.87 35.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.75 ' HB3' ' O ' ' A' ' 144' ' ' ASN . . . -54.27 -56.38 18.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . 0.639 ' HA ' ' HG2' ' A' ' 151' ' ' MET . 0.0 OUTLIER -52.05 -57.42 9.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 111.023 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.714 ' O ' HG22 ' A' ' 152' ' ' THR . 4.4 mp -52.26 -38.5 58.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.627 HD11 ' HG3' ' A' ' 97' ' ' MET . 0.3 OUTLIER -61.52 -27.83 42.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' MET . . . . . 0.864 ' HB2' ' CE2' ' A' ' 177' ' ' PHE . 2.8 mmm -60.81 -59.64 5.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.964 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . 0.946 ' OG1' ' O ' ' A' ' 173' ' ' THR . 4.8 t -54.18 -44.28 71.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.412 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' MET . . . . . 0.415 ' SD ' HG22 ' A' ' 93' ' ' ILE . 24.3 mtm -64.0 -32.16 73.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.954 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 1.097 ' C ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -54.68 -54.36 42.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 1.114 HD21 ' CZ ' ' A' ' 113' ' ' PHE . 5.0 mp -49.51 -57.34 7.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 1.076 ' HA ' HG22 ' A' ' 170' ' ' VAL . . . -56.16 -50.65 70.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.47 -54.64 13.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . 0.717 ' O ' ' N ' ' A' ' 162' ' ' HIS . 0.9 OUTLIER -75.79 -58.31 3.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . 1.13 HG13 ' CB ' ' A' ' 163' ' ' ALA . 58.1 t -47.07 -46.22 8.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.132 . . . . 0.0 109.309 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.765 ' HB1' ' SG ' ' A' ' 30' ' ' CYS . . . -33.12 -51.85 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.09 -10.91 13.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.575 1.172 . . . . 0.0 110.002 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . 0.717 ' N ' ' O ' ' A' ' 158' ' ' LYS . 13.4 t-80 -87.39 -51.2 6.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.629 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 1.13 ' CB ' HG13 ' A' ' 159' ' ' VAL . . . -116.98 79.59 10.5 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' PRO . . . . . 0.407 ' HD3' ' C ' ' A' ' 162' ' ' HIS . 18.3 Cg_endo -74.99 0.56 8.75 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.553 1.817 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.4 -15.55 20.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.037 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.514 HD12 ' HB1' ' A' ' 163' ' ' ALA . 1.6 mt -115.15 34.92 4.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . 0.955 ' HB2' HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -47.4 -53.88 12.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . 0.904 ' H ' HD13 ' A' ' 167' ' ' LEU . 0.5 OUTLIER -54.6 -40.38 68.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.326 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . 0.594 ' O ' ' OG1' ' A' ' 173' ' ' THR . 0.9 OUTLIER -66.67 -37.74 85.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 170' ' ' VAL . . . . . 1.076 HG22 ' HA ' ' A' ' 156' ' ' ALA . 1.2 t -46.99 -60.43 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . 1.009 ' CE1' HD22 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -58.58 -49.06 78.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 110.966 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 172' ' ' HIS . . . . . 0.567 ' O ' ' CB ' ' A' ' 176' ' ' ASN . 18.6 t60 -52.84 -30.74 35.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.592 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . 0.994 HG21 ' HB2' ' A' ' 155' ' ' LEU . 5.7 m -62.78 -68.9 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.421 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 174' ' ' THR . . . . . 0.905 ' O ' HD12 ' A' ' 178' ' ' ILE . 0.6 OUTLIER -44.27 -58.98 2.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.37 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 175' ' ' VAL . . . . . 1.135 HG21 ' HB ' ' A' ' 21' ' ' VAL . 2.8 t -74.47 8.83 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . 0.875 ' HB3' ' O ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -84.3 -55.93 3.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . 0.948 ' O ' ' N ' ' A' ' 181' ' ' ASN . 0.6 OUTLIER -60.61 -55.77 29.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 111.01 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . 0.905 HD12 ' O ' ' A' ' 174' ' ' THR . 3.0 mt -45.85 -56.41 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . 0.611 ' OD1' ' O ' ' A' ' 176' ' ' ASN . 0.1 OUTLIER -59.28 -37.19 77.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.28 14.74 31.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.948 ' N ' ' O ' ' A' ' 177' ' ' PHE . 43.2 t30 -98.22 -140.63 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . 0.731 HD22 ' OD1' ' A' ' 181' ' ' ASN . 0.1 OUTLIER -94.0 30.73 1.79 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 183' ' ' PHE . . . . . 0.72 ' O ' ' CD2' ' A' ' 183' ' ' PHE . 0.1 OUTLIER 31.45 99.35 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.157 . . . . 0.0 111.025 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 184' ' ' SER . . . . . 0.482 ' CB ' ' HB2' ' A' ' 187' ' ' ARG . 0.1 OUTLIER 80.11 64.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.984 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 185' ' ' TYR . . . . . 0.659 ' CG ' ' N ' ' A' ' 186' ' ' VAL . 0.0 OUTLIER -52.91 -77.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 111.04 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 186' ' ' VAL . . . . . 1.015 HG21 HD13 ' A' ' 86' ' ' ILE . 3.9 m -44.33 -40.7 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.493 ' O ' ' CG1' ' A' ' 190' ' ' VAL . 0.0 OUTLIER -53.03 -44.42 67.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.286 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 188' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -62.91 -45.26 93.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.71 -54.21 44.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . 0.493 ' CG1' ' O ' ' A' ' 187' ' ' ARG . 7.2 p -60.91 -44.69 98.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -52.78 -45.29 67.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.23 -45.49 93.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -124.18 94.6 4.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 194' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.9 134.22 54.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.257 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mmt . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.492 0.186 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.06 -63.87 1.01 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.8 t -171.7 158.77 5.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.031 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 176.73 111.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.273 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.473 ' O ' ' CB ' ' A' ' 6' ' ' SER . 14.6 p -172.93 162.27 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 5' ' ' VAL . 0.3 OUTLIER 84.04 147.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.04 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 16.1 p30 176.82 150.02 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -94.15 175.38 34.89 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.507 1.129 . . . . 0.0 110.989 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.0 m -123.7 48.58 1.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 0.735 . . . . 0.0 110.017 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 47.2 -166.78 0.1 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.526 1.141 . . . . 0.0 110.947 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.0 mt -168.53 178.31 4.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 0.772 . . . . 0.0 109.25 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -73.09 57.97 1.85 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.111 . . . . 0.0 110.96 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 1.031 ' HB1' ' CE2' ' A' ' 183' ' ' PHE . . . -177.39 141.17 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 0.769 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.478 ' HB3' ' O ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER 164.55 -27.03 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 37.0 p-80 -54.25 -44.16 71.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.607 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.618 ' CG2' ' CE2' ' A' ' 183' ' ' PHE . 4.5 tp -54.53 -32.64 25.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.859 HG21 ' N ' ' A' ' 179' ' ' ASN . 4.0 m -54.74 -49.71 70.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.428 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -48.75 -40.88 30.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.543 HD12 ' CD2' ' A' ' 84' ' ' HIS . 2.5 mm? -62.81 -32.03 73.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.068 ' CD2' HD22 ' A' ' 90' ' ' LEU . 0.7 OUTLIER -64.34 -40.04 95.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 1.115 HG13 ' CD2' ' A' ' 171' ' ' PHE . 0.5 OUTLIER -61.74 -64.5 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.727 ' H ' HG12 ' A' ' 21' ' ' VAL . 1.1 t80 -62.01 -31.6 71.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -73.57 -37.57 52.56 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 1.213 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 0.6 OUTLIER -56.86 -55.29 36.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 111.012 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.875 HD22 ' CE1' ' A' ' 171' ' ' PHE . 2.2 tp -56.19 -45.2 79.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.856 HE22 HH21 ' A' ' 88' ' ' ARG . 1.4 tm0? -58.23 -31.85 67.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.652 ' HB3' ' HB3' ' A' ' 91' ' ' ALA . 18.7 t -59.17 -84.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.976 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 t -141.92 37.6 1.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.446 ' HA3' ' HA ' ' A' ' 25' ' ' LEU . . . -83.71 -123.77 0.99 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.476 1.11 . . . . 0.0 110.966 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.511 ' HB3' ' CB ' ' A' ' 34' ' ' GLU . 14.1 t -89.46 -96.65 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.549 ' O ' ' CD2' ' A' ' 35' ' ' LEU . 87.0 m -145.51 169.77 17.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.417 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.717 ' HA ' HD11 ' A' ' 35' ' ' LEU . 2.2 ttt180 -51.75 -48.33 63.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.754 ' O ' HG23 ' A' ' 37' ' ' VAL . 18.2 tt0 -57.25 -29.84 64.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.513 ' HB2' ' H ' ' A' ' 31' ' ' THR . 0.1 OUTLIER -70.61 -57.29 4.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.329 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.783 ' N ' HD23 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -49.63 -32.13 12.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -64.47 -47.89 77.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.309 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 33' ' ' GLN . 2.0 t -63.98 -57.98 9.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.982 HD21 ' HG ' ' A' ' 167' ' ' LEU . 7.5 mt -63.82 -47.36 81.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.674 ' HA3' ' CD2' ' A' ' 22' ' ' PHE . . . -51.56 -45.19 54.18 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.491 1.119 . . . . 0.0 110.967 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.2 ttt85 173.08 121.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 0.743 . . . . 0.0 110.275 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.435 ' OE1' ' N ' ' A' ' 41' ' ' GLU . 2.3 pm0 -135.08 141.59 46.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -100.87 106.68 45.52 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' A' ' 41' ' ' GLU . 18.2 Cg_endo -74.97 169.81 21.8 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.512 1.796 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.631 HG12 ' N ' ' A' ' 45' ' ' GLN . 5.8 t -45.09 -83.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.631 ' N ' HG12 ' A' ' 44' ' ' VAL . 3.3 mm-40 66.4 -94.38 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 110.321 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 47' ' ' TYR . . . 49.1 40.71 18.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.455 ' O ' ' HB2' ' A' ' 48' ' ' TRP . 21.3 t80 -33.11 111.86 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 111.022 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.497 ' HA ' ' CE3' ' A' ' 48' ' ' TRP . 0.0 OUTLIER 166.99 127.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.707 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -134.16 65.46 1.57 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 110.262 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.707 ' HB2' ' O ' ' A' ' 49' ' ' GLU . . . 160.59 54.09 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 178.39 164.71 0.76 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.8 tp -178.73 50.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -151.29 -171.22 3.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.344 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -110.2 157.64 19.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -179.21 170.25 1.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.309 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.3 tt 65.04 135.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.52 170.51 8.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.25 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 t -86.67 53.9 2.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.412 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 72.3 162.57 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.86 -81.43 0.18 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 111.047 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 82.1 p -45.47 133.33 7.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 0.781 . . . . 0.0 110.019 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -70.84 90.38 0.8 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.256 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.05 165.16 22.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 28.7 p -48.08 139.45 8.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 109.997 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.537 ' O ' ' CB ' ' A' ' 66' ' ' SER . 0.1 OUTLIER -91.45 127.67 36.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 110.296 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.537 ' CB ' ' O ' ' A' ' 65' ' ' ARG . 0.4 OUTLIER 155.47 85.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.454 1.096 . . . . 0.0 110.009 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -40.64 117.11 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 111.011 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.446 ' N ' ' OD1' ' A' ' 68' ' ' ASN . 6.6 p-10 -66.1 100.17 0.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -163.97 155.57 16.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 110.308 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 133.28 167.72 11.73 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.447 1.092 . . . . 0.0 111.025 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -100.35 171.43 7.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.761 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.658 HG22 ' HD3' ' A' ' 74' ' ' PRO . 13.5 mm -52.15 128.23 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -127.03 82.03 68.83 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.33 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.658 ' HD3' HG22 ' A' ' 72' ' ' ILE . 18.2 Cg_endo -74.99 -165.16 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.524 1.802 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -47.88 126.76 10.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 78.2 p -135.39 66.47 1.52 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.033 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -117.72 173.66 6.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.259 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 88.3 p -65.58 83.76 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.988 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 179.17 -42.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.351 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 63.69 110.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.321 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -41.36 160.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.331 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.551 ' O ' HD13 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -81.69 -44.19 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.501 HD12 HG12 ' A' ' 16' ' ' ILE . 5.1 pt -53.44 -47.77 58.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.568 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 59.6 m80 -60.37 -31.95 70.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.561 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -59.17 -52.14 66.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.306 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.894 HD13 ' CG1' ' A' ' 186' ' ' VAL . 4.0 pt -61.47 -31.91 51.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.001 ' HA ' HD23 ' A' ' 20' ' ' LEU . . . -55.34 -50.42 69.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.856 HH21 HE22 ' A' ' 26' ' ' GLN . 1.0 OUTLIER -65.95 -52.58 48.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 110.329 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.769 ' CE1' HD11 ' A' ' 93' ' ' ILE . 33.5 t-80 -51.8 -18.57 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.56 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 1.068 HD22 ' CD2' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -59.07 -64.18 1.03 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 1.213 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -54.44 -58.06 8.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.429 ' HB2' ' OG ' ' A' ' 27' ' ' SER . 1.0 OUTLIER -49.38 -31.28 9.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 110.306 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.97 HG23 ' SD ' ' A' ' 97' ' ' MET . 2.2 mm -70.86 -32.63 49.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.43 ' HA2' ' SD ' ' A' ' 153' ' ' MET . . . -60.16 -53.04 49.02 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.465 1.103 . . . . 0.0 110.979 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.476 ' N ' ' HD2' ' A' ' 157' ' ' LYS . 10.1 t70 -63.09 -52.76 61.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 0.759 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.63 -39.95 81.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.97 ' SD ' HG23 ' A' ' 93' ' ' ILE . 0.0 OUTLIER -51.29 -51.04 57.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.434 ' OD2' ' O ' ' A' ' 95' ' ' ASP . 0.0 OUTLIER -39.21 -30.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.447 ' N ' ' C ' ' A' ' 97' ' ' MET . 19.8 t-160 -55.58 -48.8 74.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.617 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' A' ' 97' ' ' MET . 0.7 OUTLIER -145.31 88.02 1.84 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.677 HG22 ' O ' ' A' ' 101' ' ' ILE . 0.5 OUTLIER -147.67 95.35 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.93 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 0.0 OUTLIER 159.35 49.82 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.287 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.93 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.3 Cg_endo -75.0 -18.95 18.3 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.519 1.799 . . . . 0.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.691 ' O ' ' CB ' ' A' ' 105' ' ' LEU . 1.8 p -150.04 2.75 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.39 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.691 ' CB ' ' O ' ' A' ' 104' ' ' THR . 4.6 mt 104.48 40.86 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.825 ' O ' ' HE3' ' A' ' 151' ' ' MET . 0.0 OUTLIER -50.16 -88.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.927 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.815 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 18.7 ttp180 -48.26 -22.02 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.494 ' CB ' ' HB3' ' A' ' 105' ' ' LEU . 0.7 OUTLIER -65.99 -51.21 60.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 1.226 HD12 ' N ' ' A' ' 110' ' ' ALA . 0.4 OUTLIER -67.93 -62.68 1.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 1.226 ' N ' HD12 ' A' ' 109' ' ' LEU . . . -48.07 -23.97 0.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.815 ' HB2' ' O ' ' A' ' 107' ' ' ARG . . . -72.67 -46.39 54.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 1.219 ' HG3' ' O ' ' A' ' 109' ' ' LEU . 0.6 OUTLIER -52.78 -42.78 65.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.277 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 1.238 ' CD2' ' HB2' ' A' ' 130' ' ' ALA . 0.1 OUTLIER -58.48 -42.6 87.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.893 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -49.78 110.27 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 111.035 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.419 ' O ' ' O ' ' A' ' 116' ' ' GLY . 0.7 OUTLIER -146.83 -176.66 5.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.353 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 115' ' ' ASN . . . 40.23 -163.68 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.509 1.13 . . . . 0.0 110.977 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.435 ' O ' ' HB3' ' A' ' 118' ' ' LEU . 18.7 m -157.21 69.39 0.57 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 0.745 . . . . 0.0 110.013 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.557 HD12 ' CG ' ' A' ' 122' ' ' ASP . 0.0 OUTLIER 70.57 89.25 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.536 ' O ' ' CG ' ' A' ' 120' ' ' GLU . 3.3 t -134.49 123.57 24.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.415 1.072 . . . . 0.0 109.997 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.536 ' CG ' ' O ' ' A' ' 119' ' ' SER . 0.2 OUTLIER 88.68 -26.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.271 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.492 ' CB ' ' O ' ' A' ' 120' ' ' GLU . 0.6 OUTLIER 160.26 65.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.557 ' CG ' HD12 ' A' ' 118' ' ' LEU . 0.4 OUTLIER 55.53 17.88 2.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.282 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.492 ' C ' ' H ' ' A' ' 125' ' ' ASN . 0.0 OUTLIER 54.15 -88.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.729 HH21 ' HG2' ' A' ' 180' ' ' GLN . 9.0 ttt180 77.31 -25.47 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.579 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 3.4 t-20 -65.62 -43.06 90.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.59 ' C ' ' CD1' ' A' ' 113' ' ' PHE . 0.1 OUTLIER -48.42 -60.36 2.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 108.334 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 1.051 HD13 ' HA ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -52.08 -62.19 1.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.617 ' O ' HD23 ' A' ' 131' ' ' LEU . . . -49.69 -35.42 21.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.579 ' HB2' ' O ' ' A' ' 125' ' ' ASN . 0.0 OUTLIER -60.71 -23.44 64.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 1.238 ' HB2' ' CD2' ' A' ' 113' ' ' PHE . . . -69.65 -53.49 18.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.652 ' O ' ' CB ' ' A' ' 135' ' ' LYS . 0.0 OUTLIER -45.64 -41.12 9.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.993 ' O ' HG23 ' A' ' 136' ' ' THR . 36.1 t0 -61.01 -53.68 54.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.902 ' CB ' HD13 ' A' ' 109' ' ' LEU . 1.0 OUTLIER -59.06 -60.28 4.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.999 HG12 ' O ' ' A' ' 130' ' ' ALA . 0.1 OUTLIER -55.32 -33.16 30.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.283 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.652 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 2.4 ttpt -77.95 -2.33 36.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.257 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.993 HG23 ' O ' ' A' ' 132' ' ' ASP . 19.2 p -113.01 -15.85 12.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.416 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.65 ' HB3' ' CE1' ' A' ' 138' ' ' PHE . . . -106.05 -50.37 3.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 1.121 ' CZ ' HD23 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -119.97 60.47 6.77 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 0.0 110.995 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.699 ' C ' ' HB2' ' A' ' 144' ' ' ASN . 18.4 Cg_endo -74.97 146.23 32.53 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.523 1.802 . . . . 0.0 111.019 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.75 ' N ' ' CB ' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 161.63 -163.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 0.0 110.318 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.714 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 6.7 m-20 -92.94 -104.28 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . 0.603 ' HA ' ' CE2' ' A' ' 185' ' ' TYR . 0.1 OUTLIER -59.77 -31.86 70.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.108 . . . . 0.0 111.001 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . 0.436 ' O ' ' HB2' ' A' ' 147' ' ' ALA . 2.5 mm-40 -69.41 -62.69 1.28 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . 0.75 ' CB ' ' N ' ' A' ' 140' ' ' ARG . 14.0 t30 -69.14 -59.62 2.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.714 ' CB ' ' O ' ' A' ' 141' ' ' ASP . 11.9 t0 -38.85 -54.83 1.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.854 ' HB2' ' HZ2' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -67.01 -30.58 70.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.58 ' N ' ' O ' ' A' ' 144' ' ' ASN . . . -64.7 -61.97 1.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . 0.648 ' HA ' HG21 ' A' ' 134' ' ' VAL . 13.1 ptp -53.19 -41.68 65.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.52 HD23 ' HE3' ' A' ' 146' ' ' LYS . 3.1 tp -61.04 -42.05 97.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.67 HD12 ' O ' ' A' ' 146' ' ' LYS . 0.3 OUTLIER -53.45 -28.57 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' MET . . . . . 1.0 ' HA ' HD23 ' A' ' 154' ' ' LEU . 3.1 mmm -62.84 -52.2 64.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . 0.931 HG23 ' HA ' ' A' ' 174' ' ' THR . 0.6 OUTLIER -45.67 -50.87 13.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.407 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' MET . . . . . 0.726 ' SD ' HG22 ' A' ' 93' ' ' ILE . 23.5 ptp -69.1 -20.75 64.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 1.0 HD23 ' HA ' ' A' ' 151' ' ' MET . 0.4 OUTLIER -59.71 -55.06 39.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 1.164 ' O ' HG23 ' A' ' 159' ' ' VAL . 0.0 OUTLIER -50.81 -62.8 1.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.843 ' HA ' HG22 ' A' ' 170' ' ' VAL . . . -52.11 -53.83 37.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.732 ' HA ' ' CB ' ' A' ' 161' ' ' SER . 11.7 mmtt -47.14 -50.05 21.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . 0.656 ' O ' ' N ' ' A' ' 163' ' ' ALA . 19.3 mmmt -75.16 -44.41 46.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . 1.164 HG23 ' O ' ' A' ' 155' ' ' LEU . 10.5 t -69.41 -130.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.67 ' CB ' HG21 ' A' ' 170' ' ' VAL . . . -26.69 -62.19 0.08 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . 0.732 ' CB ' ' HA ' ' A' ' 157' ' ' LYS . 0.3 OUTLIER -49.63 -12.56 0.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.993 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . 0.965 ' N ' ' O ' ' A' ' 159' ' ' VAL . 2.5 m-70 -152.64 -49.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.596 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 1.078 ' N ' ' O ' ' A' ' 159' ' ' VAL . . . -111.84 95.33 28.16 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 162' ' ' HIS . 18.2 Cg_endo -75.02 50.75 2.61 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.531 1.806 . . . . 0.0 111.019 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . 0.771 ' O ' HD12 ' A' ' 166' ' ' LEU . 30.6 t -99.42 -22.69 15.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 0.0 110.012 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.771 HD12 ' O ' ' A' ' 165' ' ' SER . 5.6 mp -131.91 85.02 2.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.378 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . 0.982 ' HG ' HD21 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -62.46 -85.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . 0.499 ' HG2' ' N ' ' A' ' 169' ' ' ASP . 0.0 OUTLIER -53.98 -36.14 62.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . 0.595 ' HB3' HD23 ' A' ' 166' ' ' LEU . 0.5 OUTLIER -61.38 -37.6 84.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 170' ' ' VAL . . . . . 0.843 HG22 ' HA ' ' A' ' 156' ' ' ALA . 1.2 t -54.96 -62.39 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . 1.115 ' CD2' HG13 ' A' ' 21' ' ' VAL . 0.7 OUTLIER -51.99 -44.41 64.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 111.055 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 172' ' ' HIS . . . . . 0.519 ' O ' ' CB ' ' A' ' 176' ' ' ASN . 46.5 t60 -61.05 -32.17 71.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.576 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . 1.084 HG22 HD23 ' A' ' 155' ' ' LEU . 21.5 m -66.93 -48.36 68.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.434 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 174' ' ' THR . . . . . 0.931 ' HA ' HG23 ' A' ' 152' ' ' THR . 0.6 OUTLIER -65.5 -61.59 2.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.437 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 175' ' ' VAL . . . . . 1.108 HG21 ' HB ' ' A' ' 21' ' ' VAL . 2.1 t -65.77 1.51 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . 0.785 ' CG ' HD12 ' A' ' 127' ' ' LEU . 0.0 OUTLIER -74.43 -59.97 2.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . 0.863 ' CZ ' ' HB2' ' A' ' 151' ' ' MET . 2.9 m-85 -51.01 -50.15 59.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.122 . . . . 0.0 111.035 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . 0.904 HG23 ' O ' ' A' ' 182' ' ' LEU . 3.1 mp -64.84 -46.3 92.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.461 1.1 . . . . 0.0 109.271 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . 0.859 ' N ' HG21 ' A' ' 17' ' ' THR . 1.8 t-20 -56.14 -35.95 67.72 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 180' ' ' GLN . . . . . 0.729 ' HG2' HH21 ' A' ' 124' ' ' ARG . 7.5 mm100 -56.71 -101.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.257 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.633 ' C ' HD13 ' A' ' 182' ' ' LEU . 65.9 t30 -121.08 -2.12 9.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . 0.904 ' O ' HG23 ' A' ' 178' ' ' ILE . 0.0 OUTLIER -95.83 36.35 1.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 183' ' ' PHE . . . . . 1.031 ' CE2' ' HB1' ' A' ' 13' ' ' ALA . 4.1 t80 -33.16 -35.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 111.045 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 184' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 182' ' ' LEU . 1.2 m 163.77 105.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.041 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 185' ' ' TYR . . . . . 0.603 ' CE2' ' HA ' ' A' ' 142' ' ' MET . 25.1 t80 -57.76 -53.62 56.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 111.048 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 186' ' ' VAL . . . . . 0.894 ' CG1' HD13 ' A' ' 86' ' ' ILE . 7.2 p -50.05 -53.25 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.534 ' N ' HG13 ' A' ' 186' ' ' VAL . 1.9 tmt_? -57.49 -44.15 84.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 188' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -54.57 -46.21 73.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.69 -44.86 96.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 186' ' ' VAL . 54.9 t -55.56 -45.4 78.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -47.3 86.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -54.96 -48.44 73.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 43.8 -166.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.341 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 194' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.67 161.69 22.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 11.9 t70 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 179.993 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.496 0.189 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.405 ' O ' ' CB ' ' A' ' 3' ' ' SER . 4.5 p-10 167.4 132.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.6 OUTLIER 166.83 -170.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.016 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 71.33 -169.12 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.417 ' O ' ' CB ' ' A' ' 6' ' ' SER . 76.5 t 64.74 129.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.417 ' CB ' ' O ' ' A' ' 5' ' ' VAL . 4.5 t 165.6 76.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.061 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.641 ' CA ' HD11 ' A' ' 166' ' ' LEU . 0.9 OUTLIER 172.9 117.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -122.6 -143.67 6.51 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.528 1.143 . . . . 0.0 111.042 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.9 m -136.9 -90.31 0.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 0.744 . . . . 0.0 109.991 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.481 ' O ' ' CE1' ' A' ' 172' ' ' HIS . . . 165.28 -85.43 0.1 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.503 HD23 ' H ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER 79.93 172.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 0.774 . . . . 0.0 109.288 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.503 ' H ' HD23 ' A' ' 11' ' ' LEU . . . 149.67 149.93 5.12 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.414 1.071 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 14' ' ' LYS . . . -160.58 -88.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.574 ' HG3' ' CE2' ' A' ' 183' ' ' PHE . 0.0 OUTLIER -39.46 130.11 1.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.285 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.599 ' O ' HD23 ' A' ' 19' ' ' LEU . 28.8 m170 -61.3 -51.06 70.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.598 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.509 HD12 ' HA ' ' A' ' 16' ' ' ILE . 6.6 tp -56.71 -46.22 82.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 1.059 HG23 HD11 ' A' ' 178' ' ' ILE . 0.8 OUTLIER -53.62 -64.47 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.397 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.496 ' N ' HG22 ' A' ' 17' ' ' THR . 27.4 m-20 -48.88 -36.71 17.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.599 HD23 ' O ' ' A' ' 15' ' ' HIS . 2.3 mm? -60.8 -30.7 70.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.157 ' CD2' HD22 ' A' ' 90' ' ' LEU . 0.6 OUTLIER -65.1 -43.9 90.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.975 ' HB ' HG21 ' A' ' 175' ' ' VAL . 0.4 OUTLIER -58.08 -63.19 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.764 ' CD2' ' HA3' ' A' ' 39' ' ' GLY . 1.2 t80 -64.45 -29.49 70.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.521 ' O ' ' HG3' ' A' ' 26' ' ' GLN . . . -72.17 -38.16 59.33 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.446 1.091 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 1.262 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 1.3 t80 -55.69 -56.5 19.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 0.756 . . . . 0.0 110.997 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 1.055 HD22 ' CE1' ' A' ' 171' ' ' PHE . 6.2 tp -57.02 -47.33 81.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.543 ' HG3' ' N ' ' A' ' 27' ' ' SER . 0.3 OUTLIER -55.34 -29.68 58.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.292 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.551 ' CB ' ' O ' ' A' ' 88' ' ' ARG . 8.4 t -50.89 -66.32 0.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.998 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.4 m -103.26 -40.68 6.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.995 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.626 ' N ' ' O ' ' A' ' 25' ' ' LEU . . . 87.67 89.7 1.07 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.509 1.131 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.585 ' HB2' HD11 ' A' ' 25' ' ' LEU . 0.5 OUTLIER -71.55 -59.64 2.65 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.791 HG22 ' H ' ' A' ' 34' ' ' GLU . 0.9 OUTLIER -145.0 121.59 11.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.407 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.54 -58.93 2.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.298 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.803 ' O ' HG23 ' A' ' 37' ' ' VAL . 2.6 tt0 -57.76 -24.68 58.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 1.004 ' HB3' HD21 ' A' ' 25' ' ' LEU . 1.9 tt0 -69.17 -64.4 0.88 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.5 1.125 . . . . 0.0 110.29 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.95 ' CA ' HD23 ' A' ' 25' ' ' LEU . 0.6 OUTLIER -43.87 -40.14 4.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.475 ' O ' ' O ' ' A' ' 40' ' ' ARG . 25.4 tt0 -71.96 -43.12 65.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.272 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.803 HG23 ' O ' ' A' ' 33' ' ' GLN . 45.9 t -70.01 -57.17 8.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.006 HD21 ' HB2' ' A' ' 167' ' ' LEU . 0.4 OUTLIER -66.64 -42.42 86.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.764 ' HA3' ' CD2' ' A' ' 22' ' ' PHE . . . -48.22 -55.0 10.98 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.475 ' O ' ' O ' ' A' ' 36' ' ' GLU . 0.3 OUTLIER 171.55 172.55 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 0.759 . . . . 0.0 110.358 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.401 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -139.97 98.25 3.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.328 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.406 ' CD2' ' HD2' ' A' ' 40' ' ' ARG . 3.0 mm? -101.7 106.83 48.87 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.26 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 41' ' ' GLU . 18.3 Cg_endo -75.01 -163.94 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.473 1.775 . . . . 0.0 111.013 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 75.7 t -45.47 -85.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.02 171.24 0.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 110.285 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 47' ' ' TYR . . . -160.68 71.83 0.44 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.529 1.143 . . . . 0.0 109.35 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.493 ' O ' ' HB2' ' A' ' 48' ' ' TRP . 1.6 t80 -34.02 -61.18 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.493 ' HB2' ' O ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER 166.21 -54.27 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.676 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 1.6 pt-20 40.59 92.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.337 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.676 ' HB2' ' O ' ' A' ' 49' ' ' GLU . . . 164.72 -75.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.467 ' O ' ' C ' ' A' ' 52' ' ' LEU . 8.5 t0 67.11 121.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.467 ' C ' ' O ' ' A' ' 51' ' ' ASP . 3.6 mt -34.39 128.48 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -89.21 146.78 24.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.29 99.84 9.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -55.24 172.23 0.14 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.4 175.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.0 tp60 74.91 93.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.269 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.7 t -86.55 156.73 19.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 110.411 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.05 -52.9 1.86 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 145.31 109.09 0.61 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.53 1.144 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.6 p -160.38 153.83 22.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 0.792 . . . . 0.0 109.993 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -150.67 -59.99 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 56.12 166.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 171.01 136.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.003 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.52 ' O ' ' CB ' ' A' ' 66' ' ' SER . 11.5 mtp-105 -149.58 168.08 24.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.293 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 65' ' ' ARG . 0.4 OUTLIER 157.99 147.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.999 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -170.15 163.59 9.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 111.035 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 39.2 p-10 176.2 155.12 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.28 167.28 10.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 44.03 94.84 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.546 1.154 . . . . 0.0 111.036 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.93 90.28 8.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 0.772 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.8 mp -72.16 147.88 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -129.34 81.58 69.87 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 68.76 5.68 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.502 1.791 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.42 119.3 7.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.4 p -171.71 -59.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.006 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -172.1 -41.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.282 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.4 t 69.74 74.75 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.123 . . . . 0.0 109.986 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -160.55 -73.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -71.72 -15.78 62.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.31 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 62.1 122.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 110.266 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 43.8 mt -85.73 -41.97 15.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 1.012 ' O ' HG22 ' A' ' 86' ' ' ILE . 23.8 pt -53.46 -50.03 51.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.63 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 63.1 m80 -61.99 -40.33 95.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.58 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -55.25 -50.53 69.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 1.012 HG22 ' O ' ' A' ' 83' ' ' ILE . 7.7 tp -58.8 -33.6 49.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.844 ' HA ' HD23 ' A' ' 20' ' ' LEU . . . -56.45 -52.91 62.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.551 ' O ' ' CB ' ' A' ' 27' ' ' SER . 2.2 mtp180 -65.79 -52.01 54.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.333 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.992 ' O ' HG23 ' A' ' 93' ' ' ILE . 13.3 t-80 -50.4 -19.73 0.92 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.112 . . . . 0.0 109.635 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 1.157 HD22 ' CD2' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -56.13 -64.66 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 1.262 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -57.85 -49.14 77.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.4 -47.15 37.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.992 HG23 ' O ' ' A' ' 89' ' ' HIS . 3.0 pt -68.94 -22.83 26.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.564 ' O ' ' HG2' ' A' ' 97' ' ' MET . . . -58.95 -54.77 35.25 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.441 1.088 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -64.26 -43.41 94.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.435 ' O ' ' CB ' ' A' ' 99' ' ' HIS . 0.5 OUTLIER -63.56 -39.18 93.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.303 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.677 ' HE2' HG21 ' A' ' 101' ' ' ILE . 2.4 ptm -51.84 -42.24 62.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 111.033 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.522 ' N ' ' HG2' ' A' ' 97' ' ' MET . 1.4 p-10 -52.4 -20.65 2.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.472 ' N ' ' OD1' ' A' ' 98' ' ' ASP . 21.8 t-80 -58.96 -53.69 55.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.614 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 23.3 p-10 -147.14 87.87 1.7 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 1.033 HD11 HD13 ' A' ' 150' ' ' ILE . 0.2 OUTLIER -139.79 97.3 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.973 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 0.9 OUTLIER 161.07 48.13 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.266 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.973 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.2 Cg_endo -75.0 -22.51 14.73 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.527 1.804 . . . . 0.0 111.02 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.811 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 10.9 p -146.85 1.47 0.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.417 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.811 ' HB2' ' O ' ' A' ' 104' ' ' THR . 0.0 OUTLIER 106.5 44.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 1.042 HG12 ' CE2' ' A' ' 138' ' ' PHE . 0.0 OUTLIER -54.96 -85.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.89 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 28.3 ttp85 -53.32 -14.2 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.305 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.511 ' CB ' ' HB3' ' A' ' 105' ' ' LEU . 0.1 OUTLIER -64.97 -58.42 6.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 110.298 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 1.263 ' O ' ' CG ' ' A' ' 112' ' ' GLN . 3.3 pp -66.78 -54.77 19.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 1.152 ' N ' HD12 ' A' ' 109' ' ' LEU . . . -54.12 -20.52 6.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.247 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.89 ' HB2' ' O ' ' A' ' 107' ' ' ARG . . . -76.47 -41.26 47.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 1.263 ' CG ' ' O ' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -46.18 -58.78 3.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.354 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 1.197 ' CD2' ' HB2' ' A' ' 130' ' ' ALA . 0.7 OUTLIER -63.16 -40.04 96.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.668 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 11.4 tmm? -45.56 -23.62 0.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.996 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.47 ' ND2' ' SD ' ' A' ' 114' ' ' MET . 4.1 m-80 -136.75 83.48 2.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 92.72 134.09 6.63 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.496 1.123 . . . . 0.0 110.983 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.478 ' CB ' ' HB3' ' A' ' 126' ' ' CYS . 32.1 t -155.5 -72.16 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 0.779 . . . . 0.0 110.029 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.947 HD13 ' H ' ' A' ' 119' ' ' SER . 0.2 OUTLIER -77.84 -120.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.947 ' H ' HD13 ' A' ' 118' ' ' LEU . 22.1 m -161.9 89.96 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.031 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.603 ' O ' ' HB2' ' A' ' 121' ' ' GLU . 15.6 tt0 153.27 -22.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.278 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.603 ' HB2' ' O ' ' A' ' 120' ' ' GLU . 0.1 OUTLIER 157.66 4.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.513 ' O ' ' O ' ' A' ' 121' ' ' GLU . 0.0 OUTLIER 53.22 112.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.832 ' HE3' HD12 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -88.47 -153.56 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.901 ' HB2' HD11 ' A' ' 127' ' ' LEU . 0.0 OUTLIER -63.0 -6.23 3.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.32 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.604 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 29.2 t-20 -67.34 -41.23 85.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.639 ' O ' ' CG ' ' A' ' 113' ' ' PHE . 32.1 p -53.87 -55.74 24.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 108.301 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 1.039 HD13 ' HB2' ' A' ' 176' ' ' ASN . 0.0 OUTLIER -52.82 -72.53 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.565 ' O ' HD23 ' A' ' 131' ' ' LEU . . . -47.87 -26.78 1.81 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.616 ' HB2' ' O ' ' A' ' 126' ' ' CYS . 0.2 OUTLIER -59.73 -31.6 69.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.138 . . . . 0.0 109.319 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 1.197 ' HB2' ' CD2' ' A' ' 113' ' ' PHE . . . -72.38 -46.74 54.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.67 HD12 ' OD1' ' A' ' 181' ' ' ASN . 0.0 OUTLIER -40.28 -46.73 2.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.728 ' O ' ' HB ' ' A' ' 136' ' ' THR . 1.1 t70 -66.72 -51.31 57.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 109.267 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.692 ' O ' HG22 ' A' ' 136' ' ' THR . 0.3 OUTLIER -53.78 -62.92 1.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.266 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 1.037 HG23 ' CD2' ' A' ' 138' ' ' PHE . 0.1 OUTLIER -55.66 -38.67 51.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.568 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 0.6 OUTLIER -78.56 8.83 4.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.728 ' HB ' ' O ' ' A' ' 132' ' ' ASP . 0.6 OUTLIER -116.51 -18.59 10.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.396 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.795 ' HB3' ' CE1' ' A' ' 138' ' ' PHE . . . -109.48 -50.59 2.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 1.042 ' CE2' HG12 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -118.44 55.93 2.5 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 111.053 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.799 ' C ' ' HB2' ' A' ' 144' ' ' ASN . 18.4 Cg_endo -74.99 163.78 34.68 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.489 1.784 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.747 ' N ' ' CB ' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 156.87 -170.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.28 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.641 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 40.9 m-20 -85.4 -103.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . 0.526 ' CE ' HD23 ' A' ' 189' ' ' LEU . 21.5 mtp -67.45 -32.12 72.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.55 -61.78 1.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.331 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . 0.799 ' HB2' ' C ' ' A' ' 139' ' ' PRO . 1.3 t30 -66.33 -54.68 21.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.641 ' CB ' ' O ' ' A' ' 141' ' ' ASP . 31.0 m-20 -38.62 -54.29 1.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.095 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.78 -34.28 77.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.909 ' O ' HG22 ' A' ' 150' ' ' ILE . . . -60.15 -58.28 9.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . 0.633 ' O ' ' HG3' ' A' ' 151' ' ' MET . 4.2 mtm -48.56 -53.1 19.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 111.019 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 1.034 HD21 HD21 ' A' ' 90' ' ' LEU . 0.2 OUTLIER -55.15 -43.38 74.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 1.033 HD13 HD11 ' A' ' 101' ' ' ILE . 1.6 tt -48.78 -31.05 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' MET . . . . . 1.059 ' O ' ' CD2' ' A' ' 155' ' ' LEU . 0.0 OUTLIER -65.02 -56.51 12.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . 0.939 HG21 ' HB2' ' A' ' 177' ' ' PHE . 65.6 p -41.47 -51.55 3.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.357 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' MET . . . . . 0.685 ' HE1' HD11 ' A' ' 93' ' ' ILE . 14.5 ptp -66.71 -26.58 67.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.992 ' C ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -61.4 -51.68 67.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 1.119 ' CB ' HG21 ' A' ' 173' ' ' THR . 0.0 OUTLIER -51.75 -52.29 49.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 1.018 ' HA ' HG22 ' A' ' 170' ' ' VAL . . . -60.82 -54.57 43.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.449 ' HB2' ' O ' ' A' ' 153' ' ' MET . 0.0 OUTLIER -45.03 -51.57 9.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . 0.86 ' O ' ' N ' ' A' ' 162' ' ' HIS . 29.4 mmmt -74.74 -54.29 7.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . 1.021 HG13 ' HB3' ' A' ' 163' ' ' ALA . 42.2 t -51.97 -56.85 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.352 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.703 ' N ' ' O ' ' A' ' 156' ' ' ALA . . . -33.58 -35.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.353 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' ' 159' ' ' VAL . 0.4 OUTLIER -117.97 -13.25 10.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.014 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . 0.86 ' N ' ' O ' ' A' ' 158' ' ' LYS . 2.7 t60 -95.06 -52.21 4.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.605 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 1.021 ' HB3' HG13 ' A' ' 159' ' ' VAL . . . -124.95 69.06 57.13 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' PRO . . . . . 0.475 ' HD3' ' C ' ' A' ' 162' ' ' HIS . 18.2 Cg_endo -75.03 3.68 5.42 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.456 1.766 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 89.9 p -95.64 3.07 54.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.019 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.641 HD11 ' CA ' ' A' ' 7' ' ' ASN . 0.6 OUTLIER -141.8 52.26 1.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . 1.006 ' HB2' HD21 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -52.11 -26.67 11.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . 0.69 ' H ' HD12 ' A' ' 167' ' ' LEU . 0.0 OUTLIER -62.67 -55.83 23.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . 0.705 ' O ' ' OG1' ' A' ' 173' ' ' THR . 1.4 t70 -56.29 -36.57 68.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 170' ' ' VAL . . . . . 1.018 HG22 ' HA ' ' A' ' 156' ' ' ALA . 0.9 OUTLIER -50.29 -63.96 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . 1.055 ' CE1' HD22 ' A' ' 25' ' ' LEU . 1.0 OUTLIER -56.6 -46.54 80.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 172' ' ' HIS . . . . . 0.556 ' O ' ' CB ' ' A' ' 176' ' ' ASN . 1.8 t60 -51.66 -42.83 62.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.604 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . 1.119 HG21 ' CB ' ' A' ' 155' ' ' LEU . 1.3 m -53.91 -52.06 61.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.388 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 174' ' ' THR . . . . . 0.695 ' HA ' ' HB ' ' A' ' 152' ' ' THR . 13.5 p -56.31 -66.27 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.367 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 175' ' ' VAL . . . . . 1.04 ' HA ' HD12 ' A' ' 178' ' ' ILE . 4.0 t -74.94 14.84 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . 1.039 ' HB2' HD13 ' A' ' 127' ' ' LEU . 0.0 OUTLIER -78.65 -56.7 4.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . 1.051 ' O ' ' N ' ' A' ' 181' ' ' ASN . 8.3 m-30 -69.09 -62.49 1.36 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . 1.112 HD13 ' N ' ' A' ' 179' ' ' ASN . 0.0 OUTLIER -48.61 -25.79 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.14 . . . . 0.0 109.327 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . 1.112 ' N ' HD13 ' A' ' 178' ' ' ILE . 0.7 OUTLIER -65.73 -55.95 14.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -111.49 -10.26 14.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 1.051 ' N ' ' O ' ' A' ' 177' ' ' PHE . 60.9 t30 -97.76 -85.16 0.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . 0.672 HD23 ' HB2' ' A' ' 149' ' ' LEU . 0.2 OUTLIER -87.37 66.8 9.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 183' ' ' PHE . . . . . 0.574 ' CE2' ' HG3' ' A' ' 14' ' ' LYS . 7.6 t80 -51.42 -16.55 0.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 111.035 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 184' ' ' SER . . . . . 0.427 ' C ' ' N ' ' A' ' 186' ' ' VAL . 0.1 OUTLIER 173.43 39.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.017 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 185' ' ' TYR . . . . . 0.558 ' O ' ' CD1' ' A' ' 185' ' ' TYR . 1.5 t80 -42.3 -25.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.962 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 186' ' ' VAL . . . . . 0.923 HG21 HG21 ' A' ' 86' ' ' ILE . 53.8 t -61.03 -59.98 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.51 ' CG ' ' N ' ' A' ' 188' ' ' ASN . 0.0 OUTLIER -55.2 -43.1 74.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.307 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 188' ' ' ASN . . . . . 0.51 ' N ' ' CG ' ' A' ' 187' ' ' ARG . 0.7 OUTLIER -52.92 -47.16 68.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.753 HD13 ' N ' ' A' ' 190' ' ' VAL . 0.0 OUTLIER -57.12 -45.55 83.36 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.486 1.117 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . 0.753 ' N ' HD13 ' A' ' 189' ' ' LEU . 82.7 t -59.85 -44.35 94.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 3.0 mtt-85 -57.21 -45.65 83.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.329 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -55.09 -44.82 75.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 74.38 -63.76 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.356 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 194' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -74.71 146.64 42.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.6 ttm . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.525 0.203 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 22.2 p-10 -158.56 142.06 15.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 t 59.73 101.64 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.012 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -52.53 97.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.543 HG13 ' N ' ' A' ' 6' ' ' SER . 14.9 p -61.26 -53.82 43.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.543 ' N ' HG13 ' A' ' 5' ' ' VAL . 2.8 m 41.3 82.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.033 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.522 ' OD1' HG22 ' A' ' 5' ' ' VAL . 54.9 p30 176.76 -173.14 0.1 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -119.4 -82.88 0.8 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.4 m -119.64 -62.16 1.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 0.771 . . . . 0.0 109.972 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -98.32 -178.52 32.82 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.459 1.1 . . . . 0.0 110.966 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.75 80.66 8.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 0.789 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.72 48.22 0.34 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.466 1.103 . . . . 0.0 110.961 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.47 95.86 9.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 0.748 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.85 -36.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.458 ' CG ' ' N ' ' A' ' 16' ' ' ILE . 10.8 p-80 -55.32 -50.64 69.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 109.636 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.588 ' HB ' ' CE2' ' A' ' 183' ' ' PHE . 0.5 OUTLIER -57.45 -42.61 81.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 1.068 HG22 HG13 ' A' ' 175' ' ' VAL . 89.4 m -53.88 -58.27 7.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.416 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -47.76 -36.82 12.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.58 ' HG ' ' CD2' ' A' ' 84' ' ' HIS . 1.1 mm? -62.22 -32.47 73.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.088 HD21 HD22 ' A' ' 90' ' ' LEU . 1.5 tm? -63.47 -40.4 97.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 1.021 HG13 ' CD2' ' A' ' 171' ' ' PHE . 0.5 OUTLIER -62.01 -64.83 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.254 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.747 ' CD2' ' CA ' ' A' ' 39' ' ' GLY . 0.4 OUTLIER -63.03 -30.56 71.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 111.046 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -72.28 -40.19 55.97 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.522 1.139 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 1.23 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 1.4 t80 -55.05 -58.15 8.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 0.756 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 1.132 HD22 ' CE1' ' A' ' 171' ' ' PHE . 5.6 tp -55.15 -43.56 74.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? -58.89 -31.73 68.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.519 ' CB ' ' O ' ' A' ' 88' ' ' ARG . 1.5 t -47.02 -66.07 0.47 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.153 . . . . 0.0 109.962 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.38 -43.9 5.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.147 . . . . 0.0 109.935 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.571 ' N ' ' O ' ' A' ' 25' ' ' LEU . . . 94.65 85.07 1.65 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.661 ' CB ' HD11 ' A' ' 25' ' ' LEU . 3.4 t -66.84 -61.03 2.16 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.865 HG22 ' H ' ' A' ' 34' ' ' GLU . 1.0 OUTLIER -144.1 123.77 13.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.428 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.7 ttt-85 -45.1 -52.58 8.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.281 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -64.03 -26.51 68.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.349 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.881 ' CG ' HD23 ' A' ' 38' ' ' LEU . 44.5 tt0 -68.63 -63.31 1.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.328 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.926 ' CA ' HD23 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -47.29 -36.69 9.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.537 ' O ' ' CB ' ' A' ' 40' ' ' ARG . 5.3 tt0 -70.51 -55.07 9.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.76 HG13 HD23 ' A' ' 167' ' ' LEU . 3.4 p -66.2 -52.39 48.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.171 ' HB3' ' CD2' ' A' ' 171' ' ' PHE . 0.1 OUTLIER -65.86 -47.0 76.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.254 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.747 ' CA ' ' CD2' ' A' ' 22' ' ' PHE . . . -62.53 -53.13 43.92 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.537 ' CB ' ' O ' ' A' ' 36' ' ' GLU . 1.0 OUTLIER -55.83 104.78 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 0.749 . . . . 0.0 110.271 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.415 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 1.1 mm-40 -142.1 133.33 26.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -101.65 106.41 46.35 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.415 ' HD3' ' O ' ' A' ' 41' ' ' GLU . 18.3 Cg_endo -74.98 -179.95 5.48 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.476 1.777 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.523 ' O ' ' CB ' ' A' ' 45' ' ' GLN . 17.9 t -41.32 -53.78 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.523 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 12.7 tt0 158.25 109.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.117 . . . . 0.0 110.325 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 47' ' ' TYR . . . -108.74 72.62 0.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.438 ' C ' ' O ' ' A' ' 46' ' ' ALA . 44.1 t80 -33.76 105.08 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 0.0 111.056 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.433 ' CE3' ' O ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER 167.16 144.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 108.018 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.721 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 0.7 OUTLIER -153.02 142.36 21.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 110.26 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.721 ' HB2' ' O ' ' A' ' 49' ' ' GLU . . . 160.93 -179.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.486 ' O ' ' C ' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -171.44 126.13 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.486 ' C ' ' O ' ' A' ' 51' ' ' ASP . 0.9 OUTLIER -34.17 144.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.41 ' O ' ' CB ' ' A' ' 54' ' ' ASP . 2.9 pt-20 -148.15 157.35 43.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.41 ' CB ' ' O ' ' A' ' 53' ' ' GLU . 0.6 OUTLIER 161.93 173.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -166.02 -48.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.3 tp 73.12 156.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.2 140.01 11.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 110.296 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.7 t -153.53 158.79 41.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.397 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -156.76 171.3 20.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -135.1 -156.33 7.65 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.459 1.099 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 177.75 140.93 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 0.737 . . . . 0.0 110.008 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.46 166.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -169.55 169.01 9.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.47 -58.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.015 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.2 mtt-85 -129.26 170.56 13.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.578 1.174 . . . . 0.0 110.31 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.9 149.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.003 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.427 ' C ' ' CD1' ' A' ' 67' ' ' PHE . 10.0 p90 -95.32 167.57 11.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -125.69 167.29 15.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 61.66 135.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.319 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 147.72 79.85 0.03 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.472 1.107 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.539 ' O ' HG23 ' A' ' 72' ' ' ILE . 4.3 ptt180 -150.53 144.59 25.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 0.772 . . . . 0.0 110.277 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.539 HG23 ' O ' ' A' ' 71' ' ' ARG . 2.6 pp -156.31 147.98 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.62 121.13 45.18 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.317 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -63.18 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.535 1.808 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -180.0 123.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.4 m -160.56 99.01 1.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.987 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -109.82 111.19 22.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 110.267 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 43.7 p -135.5 104.58 5.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.013 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.18 151.69 26.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -79.89 53.71 1.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 110.29 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 175.58 143.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.327 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.7 mt -94.24 -36.61 7.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.642 ' O ' HG22 ' A' ' 86' ' ' ILE . 3.4 mt -53.7 -50.38 51.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.678 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 46.5 m80 -61.25 -43.87 98.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.585 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.471 ' O ' ' CG ' ' A' ' 88' ' ' ARG . 0.3 OUTLIER -53.28 -48.77 68.03 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 1.011 HG21 HG21 ' A' ' 186' ' ' VAL . 1.4 tp -62.41 -31.12 50.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.743 ' HB1' ' HA ' ' A' ' 20' ' ' LEU . . . -54.9 -57.82 10.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.519 ' O ' ' CB ' ' A' ' 27' ' ' SER . 1.7 ptt85 -63.06 -39.26 94.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.252 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 1.043 ' O ' HG23 ' A' ' 93' ' ' ILE . 47.4 t-80 -50.98 -26.49 6.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.606 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 1.088 HD22 HD21 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -52.44 -66.26 0.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 109.257 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 1.23 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -50.81 -45.52 59.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.647 ' HG3' ' N ' ' A' ' 93' ' ' ILE . 0.1 OUTLIER -51.19 -35.43 36.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 1.043 HG23 ' O ' ' A' ' 89' ' ' HIS . 0.5 OUTLIER -70.09 -30.28 43.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.586 ' HA2' ' HE2' ' A' ' 153' ' ' MET . . . -57.83 -51.41 58.29 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.49 1.119 . . . . 0.0 110.973 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -63.17 -51.46 66.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 0.758 . . . . 0.0 109.256 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.427 ' O ' ' CB ' ' A' ' 99' ' ' HIS . 2.4 mt-10 -62.71 -42.72 99.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.264 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.786 ' HG2' HD12 ' A' ' 93' ' ' ILE . 0.0 OUTLIER -51.99 -55.45 20.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.989 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 97' ' ' MET . 11.7 t0 -38.57 -30.65 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.466 ' N ' ' C ' ' A' ' 97' ' ' MET . 17.5 t-80 -55.03 -52.97 61.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.575 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 97' ' ' MET . 22.2 p-10 -149.65 88.73 1.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.707 HG22 ' O ' ' A' ' 101' ' ' ILE . 0.3 OUTLIER -134.8 92.33 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.239 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.885 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 0.0 OUTLIER 154.05 52.19 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.885 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.3 Cg_endo -75.03 34.5 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.51 1.795 . . . . 0.0 110.989 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.928 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 1.0 OUTLIER 149.08 2.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.381 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.928 ' HB2' ' O ' ' A' ' 104' ' ' THR . 0.1 OUTLIER 103.67 38.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 1.045 HG22 ' CD2' ' A' ' 138' ' ' PHE . 1.3 t -61.52 -80.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.871 ' N ' HG12 ' A' ' 106' ' ' VAL . 9.4 ptt85 -52.59 -19.61 2.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.313 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.711 ' HB3' HD23 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -66.35 -41.62 89.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 1.278 HD12 ' N ' ' A' ' 110' ' ' ALA . 0.2 OUTLIER -60.84 -61.18 2.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.152 . . . . 0.0 109.3 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 1.278 ' N ' HD12 ' A' ' 109' ' ' LEU . . . -48.77 -54.28 15.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.595 ' HB2' HD13 ' A' ' 154' ' ' LEU . . . -62.25 -17.13 57.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.244 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.839 ' CG ' ' O ' ' A' ' 109' ' ' LEU . 2.1 pt20 -60.45 -45.7 92.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 110.241 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 1.179 ' CD2' ' O ' ' A' ' 110' ' ' ALA . 2.8 p90 -63.27 -41.95 99.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.876 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 1.9 ttp -53.98 93.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.113 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -140.79 -57.39 0.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.248 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 176.98 86.13 0.06 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.468 1.105 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.509 ' O ' ' HB3' ' A' ' 118' ' ' LEU . 0.1 OUTLIER -155.67 45.73 0.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 0.753 . . . . 0.0 110.018 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.775 HD11 ' OD2' ' A' ' 169' ' ' ASP . 1.0 OUTLIER 179.49 93.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.282 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 120' ' ' GLU . 0.7 OUTLIER -108.02 149.21 28.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.009 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 119' ' ' SER . 0.2 OUTLIER 36.83 36.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.242 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.422 ' HG3' ' NH1' ' A' ' 168' ' ' ARG . 1.1 tm-20 66.83 72.97 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.528 ' HB3' ' CE ' ' A' ' 123' ' ' LYS . 24.2 t0 -94.44 -59.05 2.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.528 ' CE ' ' HB3' ' A' ' 122' ' ' ASP . 0.0 OUTLIER -162.7 153.23 16.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.103 . . . . 0.0 109.294 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.459 ' HD3' ' NE2' ' A' ' 172' ' ' HIS . 0.0 OUTLIER -107.69 30.92 5.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.561 ' O ' ' CB ' ' A' ' 129' ' ' LYS . 1.9 t-20 -61.89 -37.87 86.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.592 ' HB3' ' CD1' ' A' ' 113' ' ' PHE . 0.1 OUTLIER -51.97 -53.77 37.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 108.287 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.807 HD22 ' CD2' ' A' ' 155' ' ' LEU . 0.1 OUTLIER -60.94 -69.71 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.443 ' HA ' HD23 ' A' ' 131' ' ' LEU . . . -44.58 -32.84 1.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.561 ' CB ' ' O ' ' A' ' 125' ' ' ASN . 0.3 OUTLIER -61.93 -27.95 69.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 1.11 ' O ' HG12 ' A' ' 134' ' ' VAL . . . -69.46 -49.46 54.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.89 HD13 HD21 ' A' ' 182' ' ' LEU . 0.4 OUTLIER -44.75 -43.43 8.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.588 ' O ' ' HB ' ' A' ' 136' ' ' THR . 0.1 OUTLIER -63.36 -53.47 52.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.658 ' O ' HG22 ' A' ' 136' ' ' THR . 7.2 mm-40 -56.95 -61.73 2.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 110.318 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 1.11 HG12 ' O ' ' A' ' 130' ' ' ALA . 0.3 OUTLIER -53.1 -37.13 26.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.142 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.561 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 0.1 OUTLIER -78.63 4.67 12.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.658 HG22 ' O ' ' A' ' 133' ' ' GLU . 0.6 OUTLIER -117.18 -20.44 9.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.406 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.842 ' HB3' ' CE1' ' A' ' 138' ' ' PHE . . . -99.92 -52.48 3.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 1.168 ' CZ ' HD23 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -116.26 60.79 2.04 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.707 ' HD3' ' C ' ' A' ' 137' ' ' ALA . 18.3 Cg_endo -75.02 149.86 37.24 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.498 1.788 . . . . 0.0 111.003 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.787 ' N ' ' CB ' ' A' ' 144' ' ' ASN . 1.5 mtt85 164.51 -166.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 110.318 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.666 ' O ' ' CG ' ' A' ' 145' ' ' ASP . 31.8 m-20 -87.22 -110.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . 0.488 ' O ' ' HB2' ' A' ' 146' ' ' LYS . 0.3 OUTLIER -61.78 -31.97 72.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 111.011 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.14 -61.27 2.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.268 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . 0.787 ' CB ' ' N ' ' A' ' 140' ' ' ARG . 1.9 t-20 -69.82 -56.89 5.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.717 ' HA ' ' CE2' ' A' ' 185' ' ' TYR . 26.4 m-20 -37.7 -57.81 0.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 142' ' ' MET . 0.0 OUTLIER -65.08 -28.38 69.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.888 ' HA ' HD12 ' A' ' 150' ' ' ILE . . . -60.44 -58.67 7.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.24 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . 0.783 ' HG3' ' N ' ' A' ' 149' ' ' LEU . 0.1 OUTLIER -52.84 -43.55 66.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.895 HD22 HD11 ' A' ' 90' ' ' LEU . 3.8 mt -57.02 -40.82 77.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.888 HD12 ' HA ' ' A' ' 147' ' ' ALA . 14.3 mt -56.71 -28.42 27.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' MET . . . . . 1.098 ' O ' ' HG ' ' A' ' 154' ' ' LEU . 3.7 mmm -62.47 -58.0 9.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . 0.868 ' OG1' ' O ' ' A' ' 173' ' ' THR . 5.3 t -51.94 -41.45 62.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.398 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' MET . . . . . 0.818 ' CE ' HG23 ' A' ' 150' ' ' ILE . 6.3 tmm? -68.81 -28.25 66.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 111.018 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 1.098 ' HG ' ' O ' ' A' ' 151' ' ' MET . 2.2 pp -53.46 -55.58 24.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 1.241 ' O ' HG23 ' A' ' 159' ' ' VAL . 4.7 mp -50.5 -60.27 3.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.737 ' HA ' HG22 ' A' ' 170' ' ' VAL . . . -56.31 -54.68 42.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.788 ' HA ' ' CB ' ' A' ' 161' ' ' SER . 1.0 OUTLIER -44.76 -43.94 8.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . 0.716 ' O ' ' N ' ' A' ' 163' ' ' ALA . 0.4 OUTLIER -79.08 -39.59 33.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . 1.241 HG23 ' O ' ' A' ' 155' ' ' LEU . 19.6 t -71.5 -126.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.637 ' H ' HG12 ' A' ' 159' ' ' VAL . . . -31.48 -55.97 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . 0.788 ' CB ' ' HA ' ' A' ' 157' ' ' LYS . 0.6 OUTLIER -55.95 -11.44 1.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 110.009 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . 0.909 ' N ' ' O ' ' A' ' 159' ' ' VAL . 0.0 OUTLIER -152.83 -51.81 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.624 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 1.09 ' N ' ' O ' ' A' ' 159' ' ' VAL . . . -114.99 87.98 16.27 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.355 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' PRO . . . . . 0.456 ' HA ' ' HA ' ' A' ' 160' ' ' ALA . 18.3 Cg_endo -75.02 63.38 6.01 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.508 1.794 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . 0.418 ' C ' HD12 ' A' ' 166' ' ' LEU . 17.4 t -125.3 0.47 7.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.008 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.598 ' O ' ' N ' ' A' ' 170' ' ' VAL . 3.8 mp -143.69 58.34 1.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . 1.007 HD13 ' H ' ' A' ' 168' ' ' ARG . 0.0 OUTLIER -54.86 -51.88 64.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . 1.007 ' H ' HD13 ' A' ' 167' ' ' LEU . 0.4 OUTLIER -58.48 -50.28 74.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . 0.775 ' OD2' HD11 ' A' ' 118' ' ' LEU . 0.8 OUTLIER -66.47 -34.29 77.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 109.289 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 170' ' ' VAL . . . . . 0.748 HG12 ' N ' ' A' ' 171' ' ' PHE . 1.0 OUTLIER -49.94 -68.51 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . 1.171 ' CD2' ' HB3' ' A' ' 38' ' ' LEU . 1.6 m-85 -59.87 -49.59 77.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 172' ' ' HIS . . . . . 0.459 ' NE2' ' HD3' ' A' ' 124' ' ' ARG . 42.1 t60 -50.4 -33.68 21.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.553 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . 1.037 HG21 ' HB2' ' A' ' 155' ' ' LEU . 89.0 m -66.18 -61.02 2.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.382 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 174' ' ' THR . . . . . 0.752 ' HA ' HG23 ' A' ' 152' ' ' THR . 17.0 p -47.57 -59.74 3.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.438 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 175' ' ' VAL . . . . . 1.068 HG13 HG22 ' A' ' 17' ' ' THR . 3.0 t -76.74 12.6 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . 0.897 ' HB3' ' O ' ' A' ' 173' ' ' THR . 0.1 OUTLIER -80.22 -52.03 8.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . 0.746 ' CZ ' ' N ' ' A' ' 131' ' ' LEU . 1.8 m-30 -61.68 -52.61 63.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . 0.887 ' CG1' HG23 ' A' ' 17' ' ' THR . 0.0 OUTLIER -62.5 -43.01 97.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . 0.698 ' CA ' HG21 ' A' ' 17' ' ' THR . 1.3 t30 -54.98 -39.42 68.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 180' ' ' GLN . . . . . 0.462 ' O ' ' O ' ' A' ' 179' ' ' ASN . 20.4 tp60 -49.55 -103.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 110.317 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.548 ' C ' HD13 ' A' ' 182' ' ' LEU . 8.9 t30 -126.02 -4.04 6.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . 0.89 HD21 HD13 ' A' ' 131' ' ' LEU . 0.2 OUTLIER -97.03 39.97 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 183' ' ' PHE . . . . . 0.588 ' CE2' ' HB ' ' A' ' 16' ' ' ILE . 0.7 OUTLIER -28.99 -39.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 0.0 111.008 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 184' ' ' SER . . . . . 0.527 ' N ' ' O ' ' A' ' 182' ' ' LEU . 23.1 t -170.95 108.14 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.031 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 185' ' ' TYR . . . . . 0.717 ' CE2' ' HA ' ' A' ' 145' ' ' ASP . 0.0 OUTLIER -80.58 -32.47 36.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.97 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 186' ' ' VAL . . . . . 1.011 HG21 HG21 ' A' ' 86' ' ' ILE . 15.5 m -56.99 -59.3 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.597 ' H ' HG23 ' A' ' 186' ' ' VAL . 0.0 OUTLIER -60.5 -42.5 96.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 110.247 -179.919 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 188' ' ' ASN . . . . . 0.577 ' N ' ' CD ' ' A' ' 187' ' ' ARG . 23.4 t-20 -53.98 -45.34 71.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.649 HD13 ' HB3' ' A' ' 141' ' ' ASP . 45.0 tp -57.54 -47.66 81.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 92.8 t -55.7 -45.29 79.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.26 -47.31 78.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.28 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -55.22 -48.14 74.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.97 109.99 14.94 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 194' ' ' MET . . . . . 0.406 ' HG3' ' N ' ' A' ' 195' ' ' ASP . 9.8 ptt? -176.91 -38.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.951 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 195' ' ' ASP . . . . . 0.406 ' N ' ' HG3' ' A' ' 194' ' ' MET . 33.7 t70 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.414 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.491 0.186 . . . . 0.0 111.04 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 171.13 172.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 77.15 154.78 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 109.991 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -164.12 171.58 14.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.348 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.8 p -87.49 142.83 12.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 t -177.44 156.1 1.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 110.012 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.1 t30 72.46 164.84 0.29 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.253 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 153.61 72.72 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.111 . . . . 0.0 110.986 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.22 171.75 14.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 0.763 . . . . 0.0 110.003 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 151.61 76.49 0.02 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.46 HD13 ' HA ' ' A' ' 11' ' ' LEU . 2.0 mm? -74.42 153.56 39.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 0.766 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 135.18 154.92 7.19 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.542 1.151 . . . . 0.0 110.981 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.21 177.41 8.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 0.766 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.504 ' HB2' ' CD1' ' A' ' 183' ' ' PHE . 0.3 OUTLIER -152.78 141.0 20.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.423 ' C ' ' N ' ' A' ' 17' ' ' THR . 0.1 OUTLIER -56.57 -38.57 72.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 0.0 109.618 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.637 HG21 ' CG2' ' A' ' 83' ' ' ILE . 3.3 mm -53.13 -17.62 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 1.124 HG23 HD11 ' A' ' 178' ' ' ILE . 28.6 m -54.97 -62.67 1.51 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.4 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.42 -37.45 37.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 1.1 mm? -59.44 -32.52 70.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.102 ' CD2' HD22 ' A' ' 90' ' ' LEU . 1.2 tm? -63.55 -45.63 89.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.979 ' HB ' HG21 ' A' ' 175' ' ' VAL . 0.4 OUTLIER -63.28 -61.38 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.962 ' O ' HD23 ' A' ' 35' ' ' LEU . 6.2 t80 -58.07 -36.14 72.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 111.022 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -75.93 -34.08 48.78 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.504 1.127 . . . . 0.0 111.031 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 1.172 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 2.0 t80 -53.83 -58.47 7.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 0.782 . . . . 0.0 111.031 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.803 HD22 ' CE1' ' A' ' 171' ' ' PHE . 0.4 OUTLIER -56.68 -44.05 81.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -53.75 -32.51 52.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.272 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.548 ' HB3' ' HB3' ' A' ' 91' ' ' ALA . 29.0 t -66.71 -96.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.983 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.2 t -140.86 17.56 2.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.987 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.537 ' HA3' ' CE1' ' A' ' 24' ' ' PHE . . . -55.25 -108.54 0.01 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.479 1.112 . . . . 0.0 111.049 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.401 ' SG ' ' CD ' ' A' ' 34' ' ' GLU . 43.1 t -86.84 -89.69 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.226 -1.028 . . . . 0.0 108.226 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 34' ' ' GLU . 0.4 OUTLIER -144.42 149.13 35.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.425 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -43.11 -58.74 2.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.306 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.432 ' O ' ' HB ' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -55.61 -25.58 39.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.735 ' C ' HD23 ' A' ' 25' ' ' LEU . 1.8 tp10 -65.7 -57.01 9.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 1.001 HD13 ' N ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -42.78 -39.95 2.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 1.001 ' N ' HD13 ' A' ' 35' ' ' LEU . 39.6 tt0 -80.65 -31.42 36.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.234 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.651 HG13 ' CD2' ' A' ' 167' ' ' LEU . 0.4 OUTLIER -65.68 -59.32 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.006 HD22 ' C ' ' A' ' 167' ' ' LEU . 37.6 mt -62.9 -46.08 89.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.09 . . . . 0.0 109.253 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.712 ' HA3' ' CE1' ' A' ' 22' ' ' PHE . . . -48.12 -42.33 23.76 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.489 1.118 . . . . 0.0 110.956 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 175.6 128.37 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 0.777 . . . . 0.0 110.341 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.39 124.19 17.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.532 HD12 ' CD ' ' A' ' 45' ' ' GLN . 2.9 mm? -99.96 125.3 40.59 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 178.39 7.34 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.491 1.785 . . . . 0.0 111.008 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.438 ' O ' ' HB3' ' A' ' 45' ' ' GLN . 38.7 t -42.42 101.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.532 ' CD ' HD12 ' A' ' 42' ' ' LEU . 0.0 OUTLIER 177.57 42.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 47' ' ' TYR . . . -160.1 122.38 3.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.615 ' O ' ' CB ' ' A' ' 48' ' ' TRP . 22.6 t80 -32.34 116.8 0.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 111.017 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.615 ' CB ' ' O ' ' A' ' 47' ' ' TYR . 3.6 t-105 152.2 167.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.541 ' N ' ' CG ' ' A' ' 48' ' ' TRP . 5.4 pm0 -157.33 122.93 4.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 110.282 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -38.94 149.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.436 ' OD1' ' CH2' ' A' ' 48' ' ' TRP . 5.7 p-10 -170.58 140.48 1.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER 178.82 155.44 0.44 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 75.41 145.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -164.72 167.85 18.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 109.278 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -93.51 -52.82 4.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.317 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.4 tt -162.47 -60.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.5 158.47 21.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.453 ' O ' ' CB ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -153.62 -51.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.395 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.453 ' CB ' ' O ' ' A' ' 58' ' ' THR . 0.4 OUTLIER 78.23 -57.2 0.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.269 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -162.9 -46.85 0.02 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.6 m -53.48 -179.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 0.786 . . . . 0.0 109.985 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? 61.58 126.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.083 . . . . 0.0 110.279 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -150.97 -58.44 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.34 -168.93 0.16 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.113 . . . . 0.0 109.974 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.536 ' O ' ' CB ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -97.33 179.8 4.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.536 ' CB ' ' O ' ' A' ' 65' ' ' ARG . 0.5 OUTLIER 155.96 150.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.986 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -139.14 50.06 1.82 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -105.43 175.74 5.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -153.11 -174.6 5.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -135.33 164.67 24.83 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.449 1.093 . . . . 0.0 110.967 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -147.66 98.71 3.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 0.795 . . . . 0.0 110.29 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 10.7 pt -110.45 -35.64 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -141.83 94.07 7.37 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.283 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 56.01 4.12 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.537 1.809 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.509 ' O ' ' CB ' ' A' ' 76' ' ' SER . 0.4 OUTLIER 47.88 -172.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 75' ' ' ASP . 1.2 m 158.9 166.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.974 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.459 ' O ' ' CB ' ' A' ' 78' ' ' SER . 0.0 OUTLIER 81.1 -65.65 0.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 110.255 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 77' ' ' GLU . 0.3 OUTLIER 82.7 31.42 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.005 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.501 ' O ' ' CB ' ' A' ' 80' ' ' GLU . 1.3 tp-100 83.2 -73.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.249 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.501 ' CB ' ' O ' ' A' ' 79' ' ' GLN . 0.1 OUTLIER 160.5 98.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 177.84 163.76 0.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 8.7 mt -98.7 -28.0 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.637 ' CG2' HG21 ' A' ' 16' ' ' ILE . 32.3 mm -54.12 -57.87 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.555 ' CE1' ' CD1' ' A' ' 16' ' ' ILE . 89.5 m-70 -54.88 -37.69 66.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.604 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -53.31 -45.39 68.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.517 HG21 ' OD1' ' A' ' 188' ' ' ASN . 1.3 tp -61.41 -42.61 94.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.249 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.936 ' HA ' HD23 ' A' ' 20' ' ' LEU . . . -54.17 -42.34 69.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.546 ' CG ' ' HB2' ' A' ' 27' ' ' SER . 20.4 ttt180 -64.84 -54.12 35.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.562 ' CE1' HD12 ' A' ' 93' ' ' ILE . 17.6 t60 -57.92 -15.31 8.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.561 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 1.102 HD22 ' CD2' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -61.67 -67.7 0.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 1.172 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -52.37 -48.94 65.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -50.47 -35.94 31.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.239 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 1.029 HG22 ' O ' ' A' ' 90' ' ' LEU . 0.1 OUTLIER -68.93 -29.73 44.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.498 ' HA2' ' CE ' ' A' ' 97' ' ' MET . . . -59.58 -55.39 30.82 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.463 1.102 . . . . 0.0 111.027 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.47 ' HA ' ' CE ' ' A' ' 157' ' ' LYS . 63.3 t0 -60.92 -43.19 98.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 0.752 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -39.06 92.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.632 ' CG ' ' N ' ' A' ' 98' ' ' ASP . 0.1 OUTLIER -51.02 -50.72 58.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.958 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.632 ' N ' ' CG ' ' A' ' 97' ' ' MET . 0.4 OUTLIER -38.23 -29.72 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.489 ' N ' ' O ' ' A' ' 97' ' ' MET . 66.2 t60 -42.83 -69.26 0.14 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.583 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -148.96 90.37 1.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 1.038 HG22 ' HB3' ' A' ' 107' ' ' ARG . 7.3 mm -131.64 89.93 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.577 1.173 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.788 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 0.0 OUTLIER 157.34 54.96 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.285 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.788 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.3 Cg_endo -75.03 -19.73 17.48 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.499 1.789 . . . . 0.0 111.015 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.704 ' O ' ' CB ' ' A' ' 105' ' ' LEU . 8.8 t -147.32 6.85 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 110.349 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.704 ' CB ' ' O ' ' A' ' 104' ' ' THR . 12.1 tp 106.55 29.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 1.081 HG22 ' CE2' ' A' ' 138' ' ' PHE . 1.0 OUTLIER -59.14 -72.14 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 1.038 ' HB3' HG22 ' A' ' 101' ' ' ILE . 0.0 OUTLIER -52.73 -37.31 59.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 110.316 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.55 ' CB ' ' CD1' ' A' ' 105' ' ' LEU . 4.0 mm-40 -64.53 -27.22 68.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.318 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 1.063 HD21 ' HB2' ' A' ' 133' ' ' GLU . 0.7 OUTLIER -64.24 -73.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 1.007 ' O ' ' CD2' ' A' ' 113' ' ' PHE . . . -54.78 -39.33 68.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 107' ' ' ARG . . . -63.37 -22.06 66.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.983 ' CD ' ' O ' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -57.32 -50.25 73.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 110.265 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 1.215 ' CD2' ' HB2' ' A' ' 130' ' ' ALA . 1.8 p90 -66.53 -42.75 86.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.157 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.778 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 8.9 tmm? -60.47 62.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.624 ' N ' ' O ' ' A' ' 113' ' ' PHE . 12.6 t30 -143.09 153.85 43.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 83.61 -163.15 40.27 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.472 1.107 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.481 ' O ' ' C ' ' A' ' 118' ' ' LEU . 5.6 m -158.56 76.08 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 0.777 . . . . 0.0 110.0 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.577 HD12 ' CE ' ' A' ' 123' ' ' LYS . 1.5 mp -34.13 -68.83 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.612 ' C ' ' H ' ' A' ' 121' ' ' GLU . 0.6 OUTLIER -145.28 63.38 1.28 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 110.048 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.587 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 8.0 pt-20 49.68 6.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.336 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.612 ' H ' ' C ' ' A' ' 119' ' ' SER . 14.6 tt0 153.57 88.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.276 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -160.24 25.92 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.577 ' CE ' HD12 ' A' ' 118' ' ' LEU . 0.1 OUTLIER -70.97 -112.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.86 ' HA ' HD11 ' A' ' 127' ' ' LEU . 0.0 OUTLIER 72.77 -56.55 0.65 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 110.277 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.413 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 3.8 t-20 -68.26 -39.42 82.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.448 ' CB ' ' CD1' ' A' ' 113' ' ' PHE . 3.1 m -54.74 -57.01 13.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 108.309 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 1.068 HD13 ' HA ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -53.37 -65.18 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.338 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.627 ' HB2' ' OD1' ' A' ' 176' ' ' ASN . . . -46.13 -39.32 9.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.526 ' O ' ' CD ' ' A' ' 133' ' ' GLU . 7.3 mttt -65.38 -23.71 67.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.347 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 1.215 ' HB2' ' CD2' ' A' ' 113' ' ' PHE . . . -71.22 -38.83 71.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.347 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.772 ' O ' ' HB3' ' A' ' 135' ' ' LYS . 0.0 OUTLIER -55.59 -41.97 74.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.572 ' N ' HD23 ' A' ' 131' ' ' LEU . 1.5 m-20 -61.67 -61.73 2.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 1.063 ' HB2' HD21 ' A' ' 109' ' ' LEU . 0.5 OUTLIER -52.8 -60.37 3.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.27 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 1.137 HG12 ' O ' ' A' ' 130' ' ' ALA . 11.5 p -55.04 -42.52 65.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.772 ' HB3' ' O ' ' A' ' 131' ' ' LEU . 0.2 OUTLIER -87.29 25.14 1.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.821 HG22 ' HA ' ' A' ' 133' ' ' GLU . 1.9 t -160.78 24.71 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.386 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.537 ' C ' ' HD3' ' A' ' 139' ' ' PRO . . . -134.09 -56.0 0.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 1.122 ' CE2' HG23 ' A' ' 134' ' ' VAL . 2.1 p90 -130.63 47.19 2.67 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.981 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.7 ' HD3' ' N ' ' A' ' 138' ' ' PHE . 18.2 Cg_endo -75.02 170.05 21.28 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.533 1.807 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.782 ' HB2' ' CG ' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 175.6 -97.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.304 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.584 ' O ' ' N ' ' A' ' 145' ' ' ASP . 1.1 m-20 -135.75 -145.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . 0.646 ' O ' ' CB ' ' A' ' 146' ' ' LYS . 1.7 tmt? -51.71 -31.47 26.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 111.035 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -67.91 -62.95 1.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . 0.782 ' CG ' ' HB2' ' A' ' 140' ' ' ARG . 1.0 OUTLIER -73.96 -57.7 3.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.274 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.631 ' CG ' ' CE1' ' A' ' 185' ' ' TYR . 9.4 t0 -40.24 -54.83 2.29 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.646 ' CB ' ' O ' ' A' ' 142' ' ' MET . 0.6 OUTLIER -53.89 -28.87 39.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.807 ' O ' HG22 ' A' ' 150' ' ' ILE . . . -53.27 -52.24 59.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . 0.661 ' HG2' HG13 ' A' ' 134' ' ' VAL . 1.4 mtp -53.37 -54.19 40.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.538 ' O ' ' SD ' ' A' ' 153' ' ' MET . 3.5 tp -57.99 -45.07 87.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.807 HG22 ' O ' ' A' ' 147' ' ' ALA . 0.7 OUTLIER -54.6 -29.07 20.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' MET . . . . . 0.975 ' HA ' HD23 ' A' ' 154' ' ' LEU . 1.9 mmt -58.51 -52.62 64.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 111.049 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . 0.913 HG23 ' HA ' ' A' ' 174' ' ' THR . 0.5 OUTLIER -46.1 -47.2 17.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.394 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' MET . . . . . 0.611 ' O ' ' CB ' ' A' ' 157' ' ' LYS . 1.8 mpt? -71.13 -20.42 62.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.975 HD23 ' HA ' ' A' ' 151' ' ' MET . 0.5 OUTLIER -61.57 -52.72 63.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.362 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 1.083 HD23 HG22 ' A' ' 173' ' ' THR . 0.0 OUTLIER -54.04 -55.47 27.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 1.057 ' O ' ' O ' ' A' ' 159' ' ' VAL . . . -64.17 -52.74 57.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.611 ' CB ' ' O ' ' A' ' 153' ' ' MET . 39.3 tptt -45.43 -50.85 12.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . 0.894 ' O ' ' N ' ' A' ' 163' ' ' ALA . 51.6 mmtt -77.49 -52.21 9.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . 1.057 ' O ' ' O ' ' A' ' 156' ' ' ALA . 23.0 t -91.19 152.06 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 1.118 ' CB ' HG11 ' A' ' 170' ' ' VAL . . . 69.08 -49.46 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . 0.479 ' H ' ' C ' ' A' ' 159' ' ' VAL . 0.1 OUTLIER -91.35 -9.38 45.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.043 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . 0.578 ' CB ' ' O ' ' A' ' 158' ' ' LYS . 0.5 OUTLIER -152.62 -36.83 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.57 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 0.894 ' N ' ' O ' ' A' ' 158' ' ' LYS . . . -117.13 96.86 49.95 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 55.81 4.03 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.494 1.786 . . . . 0.0 111.026 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . 0.593 ' OG ' HD12 ' A' ' 166' ' ' LEU . 7.3 p -109.42 -14.48 14.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.96 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.831 HD13 HG11 ' A' ' 159' ' ' VAL . 3.5 mp -143.43 132.93 23.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . 1.006 ' C ' HD22 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -100.36 -91.22 0.31 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . 0.466 ' N ' HD22 ' A' ' 38' ' ' LEU . 18.6 ptt180 -56.63 -34.84 67.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.281 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.91 -45.78 93.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 170' ' ' VAL . . . . . 1.118 HG11 ' CB ' ' A' ' 160' ' ' ALA . 0.4 OUTLIER -56.25 -49.54 75.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . 1.0 ' CD2' ' HB2' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -62.2 -54.53 39.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 0.0 111.025 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 172' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -57.17 -22.62 41.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.656 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . 1.083 HG22 HD23 ' A' ' 155' ' ' LEU . 4.5 m -66.31 -49.13 68.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.46 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 174' ' ' THR . . . . . 0.97 HG23 ' O ' ' A' ' 171' ' ' PHE . 0.6 OUTLIER -60.55 -52.07 66.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.392 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 175' ' ' VAL . . . . . 0.993 ' HA ' HD12 ' A' ' 178' ' ' ILE . 1.1 t -72.63 1.1 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . 0.831 ' HB3' ' O ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -78.03 -59.08 2.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . 0.788 ' CZ ' ' HB2' ' A' ' 151' ' ' MET . 1.0 OUTLIER -53.93 -56.71 15.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 111.012 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . 1.124 HD11 HG23 ' A' ' 17' ' ' THR . 0.0 OUTLIER -55.92 -38.87 54.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . 1.004 ' N ' HD13 ' A' ' 178' ' ' ILE . 7.1 t30 -67.12 -40.36 86.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 180' ' ' GLN . . . . . 0.592 ' HG3' ' HB1' ' A' ' 128' ' ' ALA . 12.9 mm100 -82.91 -10.43 58.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.31 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.517 ' N ' ' O ' ' A' ' 177' ' ' PHE . 5.1 t-20 -95.84 -152.18 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . 0.606 ' O ' ' N ' ' A' ' 184' ' ' SER . 0.0 OUTLIER -92.0 36.55 0.97 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.137 . . . . 0.0 109.296 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 183' ' ' PHE . . . . . 0.808 ' O ' ' CG ' ' A' ' 183' ' ' PHE . 5.8 t80 32.4 30.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 184' ' ' SER . . . . . 0.606 ' CB ' ' O ' ' A' ' 183' ' ' PHE . 1.1 m 150.91 90.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.995 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 185' ' ' TYR . . . . . 1.002 ' CE1' HG22 ' A' ' 186' ' ' VAL . 8.2 t80 -41.48 155.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.58 1.175 . . . . 0.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 186' ' ' VAL . . . . . 1.002 HG22 ' CE1' ' A' ' 185' ' ' TYR . 3.3 m -38.84 -35.07 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.587 ' HB2' ' CE2' ' A' ' 185' ' ' TYR . 10.5 ttt85 -58.84 -52.56 65.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.352 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 188' ' ' ASN . . . . . 0.517 ' OD1' HG21 ' A' ' 86' ' ' ILE . 3.3 m-80 -55.4 -43.79 75.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.98 -45.13 67.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 65.7 t -57.31 -47.66 84.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.88 -44.14 77.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.263 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 19.6 t30 -55.36 -49.78 71.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 59.52 -171.18 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.33 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 194' ' ' MET . . . . . . . . . . . . . 6.5 ptm -157.62 146.85 19.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.473 0.178 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -160.19 160.15 32.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 169.67 158.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.995 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.625 ' O ' HG22 ' A' ' 5' ' ' VAL . 0.0 OUTLIER 179.84 -66.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.315 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.625 HG22 ' O ' ' A' ' 4' ' ' GLU . 16.2 m 47.59 -169.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.9 p -172.95 -175.15 1.18 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 109.988 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -173.53 160.2 3.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -119.37 -158.98 10.84 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.439 1.087 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.83 -80.96 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 0.0 109.957 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.85 172.21 18.48 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.536 1.147 . . . . 0.0 111.022 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -147.91 -172.16 3.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 0.755 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.671 ' O ' ' HB2' ' A' ' 13' ' ' ALA . . . 130.88 177.91 15.15 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.671 ' HB2' ' O ' ' A' ' 12' ' ' GLY . . . 164.72 159.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.52 134.49 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 28.7 p-80 -59.73 -45.21 92.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.573 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.788 HG23 HD12 ' A' ' 83' ' ' ILE . 2.8 mm -55.0 -40.59 54.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.974 HG22 HG13 ' A' ' 175' ' ' VAL . 6.7 m -54.2 -61.16 2.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 110.388 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -46.05 -35.75 5.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.3 OUTLIER -61.94 -33.22 73.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.009 HD21 HD22 ' A' ' 90' ' ' LEU . 0.4 OUTLIER -64.8 -42.6 94.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 109.269 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.983 ' HB ' HG21 ' A' ' 175' ' ' VAL . 0.5 OUTLIER -62.3 -65.19 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.861 ' CD2' ' HA3' ' A' ' 39' ' ' GLY . 2.7 t80 -62.56 -33.52 75.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -72.67 -37.29 57.82 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.542 1.151 . . . . 0.0 111.025 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 1.226 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 3.1 t80 -53.36 -57.45 10.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 0.77 . . . . 0.0 110.96 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 1.114 HD22 ' CE1' ' A' ' 171' ' ' PHE . 0.2 OUTLIER -57.91 -39.81 78.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.568 ' CB ' HD13 ' A' ' 35' ' ' LEU . 4.9 tt0 -55.31 -35.09 64.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.345 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.577 ' CB ' ' O ' ' A' ' 88' ' ' ARG . 1.9 t -66.2 -97.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 110.05 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.48 ' N ' ' OG ' ' A' ' 27' ' ' SER . 0.2 OUTLIER -139.46 19.98 2.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.495 ' HA3' ' CE1' ' A' ' 24' ' ' PHE . . . -55.68 -107.81 0.01 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.507 ' H ' HD12 ' A' ' 25' ' ' LEU . 49.1 t -89.32 -93.52 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 34' ' ' GLU . 5.3 p -144.63 152.38 40.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.37 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.564 ' O ' HD23 ' A' ' 35' ' ' LEU . 0.4 OUTLIER -42.0 -61.42 1.14 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.256 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.492 ' O ' ' HB ' ' A' ' 37' ' ' VAL . 2.6 tt0 -51.69 -25.81 8.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.138 . . . . 0.0 110.257 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.682 ' C ' HD23 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -68.09 -54.52 17.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.801 ' HG ' ' CE1' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -42.96 -39.85 2.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.508 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 0.4 OUTLIER -82.82 -32.88 27.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.774 HG12 HD22 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -62.22 -57.71 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.08 ' CD2' ' HB2' ' A' ' 167' ' ' LEU . 0.3 OUTLIER -79.28 -38.74 34.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.861 ' HA3' ' CD2' ' A' ' 22' ' ' PHE . . . -47.45 -50.6 17.84 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.457 1.098 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.48 ' O ' ' O ' ' A' ' 36' ' ' GLU . 1.5 ttp180 174.1 -150.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 0.756 . . . . 0.0 110.3 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -136.22 97.93 3.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.331 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.437 HD13 ' HD2' ' A' ' 43' ' ' PRO . 2.8 mm? -98.94 135.53 20.87 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.437 ' HD2' HD13 ' A' ' 42' ' ' LEU . 18.4 Cg_endo -74.99 161.12 39.32 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.46 1.768 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.47 ' O ' ' CB ' ' A' ' 45' ' ' GLN . 37.5 t -40.98 109.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.47 ' CB ' ' O ' ' A' ' 44' ' ' VAL . 2.9 mt-30 163.17 162.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 47' ' ' TYR . . . -127.05 67.5 1.27 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.443 ' C ' ' O ' ' A' ' 46' ' ' ALA . 11.5 t80 -33.66 -64.27 0.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 79.5 168.47 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 108.022 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.707 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 9.1 tp10 -134.36 -57.43 0.85 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.707 ' HB2' ' O ' ' A' ' 49' ' ' GLU . . . 161.86 179.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.402 ' O ' ' HB2' ' A' ' 52' ' ' LEU . 22.5 t70 -170.73 141.32 1.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER 179.2 154.09 0.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 70.51 133.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.323 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -159.38 162.79 35.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -112.02 169.43 8.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.688 HD23 ' OG1' ' A' ' 58' ' ' THR . 0.2 OUTLIER -157.12 -62.65 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 39.43 46.27 1.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.688 ' OG1' HD23 ' A' ' 56' ' ' LEU . 0.9 OUTLIER -109.38 147.4 32.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.388 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -177.39 -75.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.112 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' A' ' 62' ' ' GLN . . . 47.36 65.16 2.46 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.2 t 68.56 -66.94 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 0.763 . . . . 0.0 109.996 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 60' ' ' GLY . 3.7 pt20 -149.32 162.49 39.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.259 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.07 -72.26 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 51.81 176.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.048 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.0 mmm-85 -107.43 -76.32 0.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.2 t 49.99 96.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.982 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -87.89 -65.46 1.01 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 42.45 68.97 0.42 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.331 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.76 171.75 11.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 110.25 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -140.3 -48.49 0.05 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.453 1.096 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.14 80.68 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 0.767 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.5 pt -116.31 164.44 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -86.8 148.13 45.08 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -170.74 0.82 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.527 1.804 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -136.35 166.78 22.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 78.2 p -126.93 165.47 19.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.996 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -95.4 -57.75 2.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.275 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.34 -164.25 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.969 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.493 ' O ' ' CG ' ' A' ' 80' ' ' GLU . 5.2 mm-40 63.38 135.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.315 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 79' ' ' GLN . 0.4 OUTLIER 162.96 -76.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 110.277 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.425 ' O ' ' HB2' ' A' ' 85' ' ' ASN . 1.6 mp0 -89.3 -172.15 3.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.618 HG22 ' N ' ' A' ' 83' ' ' ILE . 37.0 mm -103.24 -100.89 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.788 HD12 HG23 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -52.58 -39.11 28.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.695 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 71.1 m80 -61.46 -39.58 91.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 0.0 109.568 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' A' ' 81' ' ' GLU . 52.3 t30 -57.05 -51.61 68.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.512 HG21 HH21 ' A' ' 191' ' ' ARG . 3.8 pt -61.45 -25.57 37.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.695 ' HB3' ' O ' ' A' ' 84' ' ' HIS . . . -61.51 -62.16 2.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.577 ' O ' ' CB ' ' A' ' 27' ' ' SER . 0.3 OUTLIER -63.69 -45.57 89.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.289 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 1.083 ' O ' HG23 ' A' ' 93' ' ' ILE . 23.3 t-80 -54.98 -23.16 17.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.568 1.167 . . . . 0.0 109.61 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 1.009 HD22 HD21 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -56.26 -63.42 1.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 1.226 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -52.72 -48.73 66.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -49.49 -46.87 48.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.361 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 1.083 HG23 ' O ' ' A' ' 89' ' ' HIS . 1.1 pt -68.03 -24.68 30.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.462 ' O ' ' HG3' ' A' ' 157' ' ' LYS . . . -61.52 -54.5 35.35 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.555 1.159 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -61.57 -45.94 92.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 0.731 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.82 -40.84 98.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.085 . . . . 0.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.46 ' O ' ' N ' ' A' ' 99' ' ' HIS . 0.3 OUTLIER -51.74 -46.63 64.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 110.963 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 97' ' ' MET . 43.4 t0 -38.79 -30.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.46 ' N ' ' O ' ' A' ' 97' ' ' MET . 50.3 m170 -44.2 -47.59 9.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.627 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -144.77 85.83 1.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.792 HG23 ' O ' ' A' ' 101' ' ' ILE . 0.3 OUTLIER -114.7 82.83 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.884 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 3.0 tt0 152.35 52.95 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.884 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.4 Cg_endo -75.02 11.51 1.43 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.511 1.795 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.834 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 0.9 OUTLIER 167.04 1.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.371 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.834 ' HB2' ' O ' ' A' ' 104' ' ' THR . 0.1 OUTLIER 106.01 29.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 1.207 HG22 ' CD2' ' A' ' 138' ' ' PHE . 1.0 OUTLIER -61.35 -74.67 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.277 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.845 ' N ' HG12 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -55.65 -17.12 5.05 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 110.337 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.782 ' CB ' HH21 ' A' ' 107' ' ' ARG . 0.8 OUTLIER -61.68 -48.13 82.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 110.318 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 1.25 HD12 ' N ' ' A' ' 110' ' ' ALA . 0.5 OUTLIER -64.09 -61.63 2.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 1.25 ' N ' HD12 ' A' ' 109' ' ' LEU . . . -49.97 -35.88 26.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 107' ' ' ARG . . . -69.29 -24.36 63.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.748 ' CG ' ' O ' ' A' ' 109' ' ' LEU . 4.4 pt20 -56.47 -50.97 70.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.275 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 1.182 ' CD2' ' HB2' ' A' ' 130' ' ' ALA . 1.5 p90 -67.77 -39.65 84.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.751 ' N ' ' CD1' ' A' ' 113' ' ' PHE . 5.5 ttp -51.35 78.33 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 111.022 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.628 ' N ' ' O ' ' A' ' 113' ' ' PHE . 5.3 t-20 -143.98 -157.36 0.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 115' ' ' ASN . . . 38.09 -158.44 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.539 1.149 . . . . 0.0 111.013 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.519 ' O ' ' HB3' ' A' ' 118' ' ' LEU . 11.1 p -157.07 80.5 0.92 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 0.789 . . . . 0.0 109.955 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.554 ' O ' HD23 ' A' ' 118' ' ' LEU . 0.0 OUTLIER 78.49 102.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.72 156.31 18.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.957 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 48.39 24.47 0.73 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.13 . . . . 0.0 110.293 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.505 ' O ' ' CB ' ' A' ' 122' ' ' ASP . 1.6 tt0 69.04 58.11 0.37 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 121' ' ' GLU . 0.7 OUTLIER 155.95 -177.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.698 ' HZ2' ' H ' ' A' ' 126' ' ' CYS . 0.1 OUTLIER -147.42 129.19 15.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.62 ' HA ' HD23 ' A' ' 127' ' ' LEU . 4.2 ttp-105 177.25 -42.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.53 ' O ' ' N ' ' A' ' 129' ' ' LYS . 24.3 t30 -67.51 -43.19 81.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.698 ' H ' ' HZ2' ' A' ' 123' ' ' LYS . 2.0 m -52.48 -58.93 5.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 108.348 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.823 HD13 ' N ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -59.22 -62.34 1.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.4 ' N ' ' OD1' ' A' ' 176' ' ' ASN . . . -48.5 -30.93 5.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.567 ' HB3' ' O ' ' A' ' 126' ' ' CYS . 3.6 tttt -60.77 -29.37 69.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 1.197 ' O ' HG12 ' A' ' 134' ' ' VAL . . . -73.5 -40.78 63.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 1.056 HD13 ' N ' ' A' ' 132' ' ' ASP . 0.0 OUTLIER -46.8 -47.98 20.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 1.056 ' N ' HD13 ' A' ' 131' ' ' LEU . 0.2 OUTLIER -62.06 -54.89 35.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.76 ' CB ' HD13 ' A' ' 109' ' ' LEU . 0.5 OUTLIER -51.57 -61.98 1.91 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 1.197 HG12 ' O ' ' A' ' 130' ' ' ALA . 1.4 p -57.59 -37.03 56.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 1.017 ' CE ' HG22 ' A' ' 134' ' ' VAL . 1.1 mmpt? -82.67 20.04 1.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.734 ' HB ' ' O ' ' A' ' 132' ' ' ASP . 0.6 OUTLIER -136.94 -10.06 1.78 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.38 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.693 ' C ' ' HD3' ' A' ' 139' ' ' PRO . . . -111.93 -50.18 2.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 1.207 ' CD2' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -117.16 61.53 2.88 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 110.98 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.693 ' HD3' ' C ' ' A' ' 137' ' ' ALA . 18.4 Cg_endo -74.96 145.69 31.9 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.447 1.762 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.802 ' N ' ' CB ' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 176.44 -161.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.364 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.686 ' O ' ' HB2' ' A' ' 145' ' ' ASP . 1.0 OUTLIER -93.85 -105.89 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.082 . . . . 0.0 109.29 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . 0.522 ' HA ' ' CZ ' ' A' ' 185' ' ' TYR . 7.7 tmm? -67.52 -34.87 77.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -65.49 -58.72 5.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 110.323 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . 0.802 ' CB ' ' N ' ' A' ' 140' ' ' ARG . 1.7 t30 -66.53 -60.5 2.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.686 ' HB2' ' O ' ' A' ' 141' ' ' ASP . 31.9 m-20 -40.44 -52.04 2.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.549 ' O ' ' HG ' ' A' ' 149' ' ' LEU . 6.0 ttmt -66.58 -26.19 66.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.639 ' HB3' ' O ' ' A' ' 144' ' ' ASN . . . -63.53 -54.77 30.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . 0.8 ' SD ' HD23 ' A' ' 131' ' ' LEU . 0.9 OUTLIER -55.49 -53.57 54.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 111.029 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.79 HD12 ' C ' ' A' ' 149' ' ' LEU . 0.5 OUTLIER -55.24 -40.52 70.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.766 ' N ' HD12 ' A' ' 149' ' ' LEU . 1.4 mt -55.63 -30.2 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 109.287 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' MET . . . . . 1.096 ' O ' ' CD2' ' A' ' 155' ' ' LEU . 6.1 mmm -62.79 -56.96 12.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . 0.903 HG21 ' HB2' ' A' ' 177' ' ' PHE . 50.6 p -44.3 -52.1 7.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.372 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' MET . . . . . 0.677 ' HE1' HD11 ' A' ' 93' ' ' ILE . 10.0 ptp -67.46 -24.95 65.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 111.034 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.994 ' C ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -60.39 -51.62 68.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 1.096 ' CD2' ' O ' ' A' ' 151' ' ' MET . 0.0 OUTLIER -52.02 -46.45 65.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 1.112 ' O ' ' O ' ' A' ' 159' ' ' VAL . . . -66.09 -54.09 29.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.551 ' O ' ' HB2' ' A' ' 162' ' ' HIS . 0.0 OUTLIER -43.43 -46.02 6.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.269 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . 0.584 ' O ' ' N ' ' A' ' 163' ' ' ALA . 7.1 mmmt -77.09 -52.91 8.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . 1.112 ' O ' ' O ' ' A' ' 156' ' ' ALA . 25.4 t -99.17 160.14 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 1.017 ' HB3' HG11 ' A' ' 170' ' ' VAL . . . 63.79 -53.23 0.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . 0.631 ' N ' ' O ' ' A' ' 159' ' ' VAL . 0.2 OUTLIER -86.96 -11.51 50.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.003 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . 0.567 ' HB2' ' O ' ' A' ' 158' ' ' LYS . 3.6 m-70 -147.3 -34.79 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.595 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 0.911 ' HB3' ' HA ' ' A' ' 159' ' ' VAL . . . -118.43 92.56 43.71 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 91.04 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.508 1.794 . . . . 0.0 110.972 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.66 -62.56 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.999 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 6.5 tp -122.06 62.2 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . 1.08 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -47.11 -61.6 1.81 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . 0.985 ' H ' HD13 ' A' ' 167' ' ' LEU . 0.5 OUTLIER -40.19 -45.82 2.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.264 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . 0.589 ' O ' ' OG1' ' A' ' 173' ' ' THR . 0.0 OUTLIER -63.95 -40.76 97.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 170' ' ' VAL . . . . . 1.017 HG11 ' HB3' ' A' ' 160' ' ' ALA . 1.1 t -62.86 -61.55 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . 1.114 ' CE1' HD22 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -45.25 -49.54 12.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 172' ' ' HIS . . . . . 0.617 ' CD2' ' O ' ' A' ' 123' ' ' LYS . 0.8 OUTLIER -58.5 -31.42 67.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.636 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . 1.046 HG21 ' CG ' ' A' ' 155' ' ' LEU . 1.5 m -52.77 -49.06 66.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.414 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 174' ' ' THR . . . . . 0.727 ' HA ' ' HB ' ' A' ' 152' ' ' THR . 32.7 p -59.02 -63.71 1.21 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.395 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 175' ' ' VAL . . . . . 0.983 HG21 ' HB ' ' A' ' 21' ' ' VAL . 7.3 t -72.48 8.26 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . 0.766 ' ND2' HG22 ' A' ' 152' ' ' THR . 0.1 OUTLIER -73.15 -57.23 4.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.356 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . 0.903 ' HB2' HG21 ' A' ' 152' ' ' THR . 7.0 m-30 -65.13 -54.88 23.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . 0.793 ' HB ' HG23 ' A' ' 17' ' ' THR . 2.5 mt -51.09 -40.1 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . 0.736 ' O ' ' O ' ' A' ' 180' ' ' GLN . 11.5 t-20 -70.41 -33.03 70.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 180' ' ' GLN . . . . . 0.858 ' HG3' ' H ' ' A' ' 182' ' ' LEU . 0.4 OUTLIER -47.25 -152.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 110.26 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.635 ' N ' ' CG ' ' A' ' 180' ' ' GLN . 58.6 t30 -98.04 -30.8 12.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . 0.997 ' O ' ' O ' ' A' ' 183' ' ' PHE . 0.3 OUTLIER -80.53 -2.22 45.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.252 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 183' ' ' PHE . . . . . 0.997 ' O ' ' O ' ' A' ' 182' ' ' LEU . 0.1 OUTLIER 27.23 -178.93 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 184' ' ' SER . . . . . 0.786 ' N ' ' CG ' ' A' ' 183' ' ' PHE . 0.6 OUTLIER -47.71 178.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 110.014 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 185' ' ' TYR . . . . . 0.561 ' CZ ' ' HB2' ' A' ' 187' ' ' ARG . 1.1 t80 -48.46 117.57 2.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 186' ' ' VAL . . . . . . . . . . . . . 7.1 p -41.12 -39.11 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.561 ' HB2' ' CZ ' ' A' ' 185' ' ' TYR . 0.0 OUTLIER -55.34 -50.71 68.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 110.328 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 188' ' ' ASN . . . . . 0.514 ' O ' ' HG3' ' A' ' 191' ' ' ARG . 84.3 m-20 -53.8 -41.26 67.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.586 ' HB2' ' CE1' ' A' ' 183' ' ' PHE . 4.8 tp -66.24 -45.57 80.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 2.8 t -57.65 -57.74 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 191' ' ' ARG . . . . . 0.514 ' HG3' ' O ' ' A' ' 188' ' ' ASN . 0.0 OUTLIER -59.92 -42.83 94.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.31 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 192' ' ' ASN . . . . . 0.463 ' O ' ' C ' ' A' ' 193' ' ' GLU . 19.1 t30 -53.44 -47.86 69.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 193' ' ' GLU . . . . . 0.465 ' CG ' ' O ' ' A' ' 193' ' ' GLU . 0.0 OUTLIER 34.23 43.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 110.269 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 194' ' ' MET . . . . . 0.435 ' CB ' ' OD1' ' A' ' 192' ' ' ASN . 0.7 OUTLIER -138.24 130.98 29.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 179.991 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 ttp . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.439 0.161 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.486 ' O ' ' CB ' ' A' ' 3' ' ' SER . 2.9 p30 173.6 167.41 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.262 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.4 OUTLIER 159.83 149.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.953 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -179.48 147.75 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.2 p -175.06 148.7 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.79 152.22 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.027 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 167.19 162.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 152.48 127.97 1.32 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.476 1.11 . . . . 0.0 110.966 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.7 p -153.43 173.64 15.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 0.79 . . . . 0.0 110.009 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.65 ' O ' HD12 ' A' ' 11' ' ' LEU . . . 156.12 139.26 2.72 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.123 . . . . 0.0 111.004 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.65 HD12 ' O ' ' A' ' 10' ' ' GLY . 0.1 OUTLIER 174.47 155.51 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 0.758 . . . . 0.0 109.241 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.648 ' O ' ' HB2' ' A' ' 13' ' ' ALA . . . 150.33 159.62 8.85 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.118 . . . . 0.0 111.027 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.648 ' HB2' ' O ' ' A' ' 12' ' ' GLY . . . 167.13 132.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 0.763 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.535 ' HG3' ' CE2' ' A' ' 183' ' ' PHE . 5.8 mmtt -144.89 142.83 30.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -62.74 -46.98 85.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.614 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.593 HD11 ' CE1' ' A' ' 84' ' ' HIS . 0.2 OUTLIER -54.18 -37.15 34.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 1.034 HG22 HG13 ' A' ' 175' ' ' VAL . 14.3 m -53.68 -59.07 5.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.386 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -48.88 -36.27 16.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.353 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.511 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.6 OUTLIER -61.29 -33.25 73.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.246 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.072 ' CD2' HD22 ' A' ' 90' ' ' LEU . 1.5 tm? -64.27 -45.79 86.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 1.0 ' HB ' HG21 ' A' ' 175' ' ' VAL . 0.5 OUTLIER -59.22 -64.29 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.742 ' HA ' ' CE2' ' A' ' 171' ' ' PHE . 1.4 t80 -62.27 -30.49 71.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 111.029 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -73.68 -34.95 55.91 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.514 1.134 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 1.175 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 1.3 t80 -56.9 -56.04 26.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 0.78 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 1.033 ' HB2' ' CZ ' ' A' ' 171' ' ' PHE . 0.3 OUTLIER -56.77 -43.37 80.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.579 ' HG3' ' N ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -59.97 -29.54 68.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.324 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.579 ' N ' ' HG3' ' A' ' 26' ' ' GLN . 0.1 OUTLIER -69.14 -86.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.3 t -144.35 50.14 1.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.001 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.707 ' HA3' HD12 ' A' ' 25' ' ' LEU . . . -99.73 -97.49 2.17 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.464 1.103 . . . . 0.0 111.043 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.631 ' HB3' ' CB ' ' A' ' 34' ' ' GLU . 43.5 t -110.64 -104.64 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 34' ' ' GLU . 2.7 m -143.83 166.93 23.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.403 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.694 ' HA ' HD11 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -46.52 -45.81 18.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 110.261 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 1.057 ' O ' HG23 ' A' ' 37' ' ' VAL . 1.1 mm-40 -60.64 -29.68 69.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.333 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.75 ' HG2' HD21 ' A' ' 25' ' ' LEU . 0.7 OUTLIER -71.45 -59.4 2.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.817 ' N ' HD23 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -46.36 -37.21 7.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 41' ' ' GLU . 11.6 tt0 -72.44 -34.34 67.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 1.057 HG23 ' O ' ' A' ' 33' ' ' GLN . 64.1 t -62.2 -63.37 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.084 ' HB2' ' CD2' ' A' ' 171' ' ' PHE . 0.1 OUTLIER -73.12 -39.47 65.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.702 ' HA3' ' CD2' ' A' ' 22' ' ' PHE . . . -46.53 -56.39 7.31 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 111.038 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 169.75 68.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.78 . . . . 0.0 110.306 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.5 ' CB ' ' O ' ' A' ' 36' ' ' GLU . 0.8 OUTLIER -144.71 122.86 12.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.285 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -101.7 106.95 49.54 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 55.95 4.08 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.529 1.805 . . . . 0.0 111.065 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.404 ' O ' ' HB2' ' A' ' 45' ' ' GLN . 4.5 p -52.99 -31.45 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' A' ' 44' ' ' VAL . 2.7 tt0 174.78 111.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 47' ' ' TYR . . . -155.4 179.33 9.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.578 ' O ' ' CB ' ' A' ' 48' ' ' TRP . 50.2 t80 -37.35 155.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.578 ' CB ' ' O ' ' A' ' 47' ' ' TYR . 1.8 t-105 154.8 119.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 107.999 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.529 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -110.21 -158.89 0.66 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.529 ' HB2' ' O ' ' A' ' 49' ' ' GLU . . . 174.17 -173.58 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -169.04 176.82 5.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.262 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.472 HD22 ' HA ' ' A' ' 52' ' ' LEU . 0.3 OUTLIER -179.25 129.61 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.82 131.46 22.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.08 . . . . 0.0 110.283 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -132.12 173.93 10.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 75.25 175.04 0.24 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.2 mp -113.94 178.48 4.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -102.2 116.07 31.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 44.7 p -85.62 -174.13 5.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.377 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -50.39 164.4 0.13 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.445 1.091 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 101.9 129.38 6.66 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.54 1.15 . . . . 0.0 110.972 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.423 ' O ' ' CG ' ' A' ' 62' ' ' GLN . 0.3 OUTLIER -146.16 121.12 10.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 0.754 . . . . 0.0 109.967 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.423 ' CG ' ' O ' ' A' ' 61' ' ' SER . 0.9 OUTLIER 172.84 129.04 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.469 1.106 . . . . 0.0 110.238 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -138.44 179.5 6.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.339 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.0 -177.34 5.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.0 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.567 ' O ' ' CB ' ' A' ' 66' ' ' SER . 18.5 ptp180 -119.31 -178.83 3.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.567 ' CB ' ' O ' ' A' ' 65' ' ' ARG . 0.7 OUTLIER 153.92 174.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.996 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.433 ' N ' ' OG ' ' A' ' 66' ' ' SER . 0.2 OUTLIER -148.4 154.89 40.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.958 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -143.24 171.16 14.47 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -158.12 174.17 15.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.329 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -166.38 131.06 2.27 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.505 1.128 . . . . 0.0 111.035 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -98.23 166.51 11.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 0.782 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 6.0 pt -131.96 130.31 61.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 74' ' ' PRO . 0.2 OUTLIER -117.01 137.61 24.0 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 110.282 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 73' ' ' GLU . 18.3 Cg_endo -74.99 -171.83 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.512 1.796 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -162.92 163.71 26.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 53.2 p -167.44 167.2 13.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 0.0 109.961 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -117.44 -93.56 0.51 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 110.295 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.8 p 171.1 -53.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.024 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -41.4 142.23 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -178.36 155.3 0.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 85' ' ' ASN . 0.3 OUTLIER -107.09 -138.34 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.3 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.616 HG22 ' N ' ' A' ' 83' ' ' ILE . 4.6 mp -100.38 -99.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.616 ' N ' HG22 ' A' ' 82' ' ' ILE . 6.3 mt -53.02 -38.84 30.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.353 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.593 ' CE1' HD11 ' A' ' 16' ' ' ILE . 44.4 m80 -61.94 -44.68 96.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.593 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' ' 81' ' ' GLU . 3.6 t-20 -54.82 -50.06 69.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.559 HG22 ' O ' ' A' ' 83' ' ' ILE . 1.2 tp -61.71 -37.27 77.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.965 ' HA ' HD23 ' A' ' 20' ' ' LEU . . . -53.97 -44.45 70.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.548 ' C ' ' OG ' ' A' ' 27' ' ' SER . 0.3 OUTLIER -67.17 -51.98 47.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 1.055 ' O ' HG23 ' A' ' 93' ' ' ILE . 65.1 t60 -51.18 -20.5 1.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.569 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 1.072 HD22 ' CD2' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -58.1 -64.84 0.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 1.175 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -55.26 -45.2 76.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -51.64 -48.07 63.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.27 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 1.055 HG23 ' O ' ' A' ' 89' ' ' HIS . 1.7 pt -67.64 -22.17 28.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.54 -55.72 25.69 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.488 1.118 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -62.49 -51.57 66.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 0.776 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -61.38 -38.29 86.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.331 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.594 ' CB ' ' O ' ' A' ' 93' ' ' ILE . 7.0 tpp -51.45 -47.6 63.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.962 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.538 ' HA ' HD12 ' A' ' 101' ' ' ILE . 30.7 t0 -37.51 -32.46 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.455 ' N ' ' O ' ' A' ' 97' ' ' MET . 41.1 t60 -44.23 -39.93 4.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 109.584 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -143.74 87.6 1.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.751 HG22 ' O ' ' A' ' 101' ' ' ILE . 4.3 mt -116.41 81.29 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.986 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 3.4 tm0? 155.73 48.91 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.27 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.986 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.3 Cg_endo -75.01 76.86 3.28 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.888 ' OG1' ' O ' ' A' ' 103' ' ' PRO . 11.9 p 87.55 5.15 0.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.461 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.655 ' CB ' ' O ' ' A' ' 104' ' ' THR . 8.3 mt 103.01 26.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 1.011 HG22 ' CD2' ' A' ' 138' ' ' PHE . 0.9 OUTLIER -66.85 -75.41 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.823 ' N ' HG12 ' A' ' 106' ' ' VAL . 16.9 mmt180 -57.19 -15.61 6.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.152 . . . . 0.0 110.26 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.407 ' HB2' ' HA ' ' A' ' 105' ' ' LEU . 1.4 mm-40 -63.01 -48.97 76.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 1.227 HD12 ' N ' ' A' ' 110' ' ' ALA . 1.1 pp -60.44 -59.31 5.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.128 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 1.227 ' N ' HD12 ' A' ' 109' ' ' LEU . . . -50.3 -34.77 24.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.453 ' O ' ' HG3' ' A' ' 114' ' ' MET . . . -70.18 -24.06 63.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.763 ' CG ' ' O ' ' A' ' 109' ' ' LEU . 6.1 pt20 -54.89 -53.61 53.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.295 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 1.137 ' CD2' ' HB2' ' A' ' 130' ' ' ALA . 2.2 p90 -68.59 -38.46 80.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 111.007 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.755 ' CB ' HD12 ' A' ' 155' ' ' LEU . 0.0 OUTLIER -49.21 -19.5 0.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.403 ' N ' ' HG3' ' A' ' 114' ' ' MET . 1.0 OUTLIER -107.21 127.31 53.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 109.237 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -172.12 -115.3 0.36 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.578 ' O ' ' CB ' ' A' ' 118' ' ' LEU . 2.6 t -154.86 -92.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 0.786 . . . . 0.0 109.949 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.751 HD12 ' C ' ' A' ' 118' ' ' LEU . 0.2 OUTLIER 158.34 95.93 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.606 ' O ' ' CB ' ' A' ' 120' ' ' GLU . 23.6 t -137.65 74.83 1.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.982 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.726 ' O ' ' CG ' ' A' ' 121' ' ' GLU . 8.6 mt-10 152.46 -2.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.288 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.726 ' CG ' ' O ' ' A' ' 120' ' ' GLU . 0.4 OUTLIER 95.92 44.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.663 ' H ' HD13 ' A' ' 118' ' ' LEU . 1.1 m-20 69.6 61.13 0.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.082 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 122' ' ' ASP . 0.3 OUTLIER -43.07 165.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.495 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -120.25 0.26 10.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.545 ' O ' ' N ' ' A' ' 129' ' ' LYS . 9.2 p30 -67.02 -42.38 85.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.708 ' SG ' HD23 ' A' ' 127' ' ' LEU . 1.6 p -51.65 -55.73 17.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 108.267 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.866 HD12 ' HB2' ' A' ' 176' ' ' ASN . 0.0 OUTLIER -57.0 -70.16 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -46.25 -29.84 1.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.561 ' HB2' ' O ' ' A' ' 126' ' ' CYS . 21.1 mtpt -60.94 -29.26 69.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 1.137 ' HB2' ' CD2' ' A' ' 113' ' ' PHE . . . -72.0 -46.44 57.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.859 ' HB2' HD21 ' A' ' 182' ' ' LEU . 0.3 OUTLIER -41.95 -46.86 4.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.281 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.866 ' O ' ' HB ' ' A' ' 136' ' ' THR . 7.7 t70 -67.0 -44.13 81.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.857 ' CB ' HD13 ' A' ' 109' ' ' LEU . 1.5 mp0 -61.93 -61.59 2.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.285 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 1.012 ' HA ' HD21 ' A' ' 109' ' ' LEU . 0.1 OUTLIER -52.62 -38.86 28.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.513 1.133 . . . . 0.0 109.245 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.634 ' CG ' ' O ' ' A' ' 131' ' ' LEU . 0.5 OUTLIER -84.17 7.35 19.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.866 ' HB ' ' O ' ' A' ' 132' ' ' ASP . 0.5 OUTLIER -110.57 -22.55 11.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 110.421 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.798 ' HB3' ' CE1' ' A' ' 138' ' ' PHE . . . -105.47 -49.02 3.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 1.011 ' CD2' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -117.54 59.57 2.83 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 111.024 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.707 ' HD3' ' C ' ' A' ' 137' ' ' ALA . 18.3 Cg_endo -74.97 155.46 43.05 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.493 1.786 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.739 ' N ' ' CB ' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 161.93 -167.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.688 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 0.8 OUTLIER -88.06 -105.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . 0.644 ' HA ' ' CE2' ' A' ' 185' ' ' TYR . 12.6 ptt? -63.45 -32.37 73.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -66.16 -60.72 2.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . 0.739 ' CB ' ' N ' ' A' ' 140' ' ' ARG . 2.1 t-20 -69.92 -56.94 5.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.688 ' CB ' ' O ' ' A' ' 141' ' ' ASP . 10.4 m-20 -38.73 -54.67 1.56 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.244 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.501 ' O ' ' CG1' ' A' ' 150' ' ' ILE . 6.1 mmpt? -64.58 -33.31 75.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.579 ' N ' ' O ' ' A' ' 144' ' ' ASN . . . -61.32 -54.3 45.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.378 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . 0.689 ' HG2' HG13 ' A' ' 134' ' ' VAL . 2.4 mtm -51.54 -57.09 10.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.155 . . . . 0.0 111.024 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 1.07 HD21 HD11 ' A' ' 90' ' ' LEU . 7.3 tp -54.77 -43.3 72.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.675 HG21 ' CZ ' ' A' ' 107' ' ' ARG . 1.3 mm -51.86 -31.86 13.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.108 . . . . 0.0 109.298 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' MET . . . . . 1.055 ' O ' ' CD2' ' A' ' 155' ' ' LEU . 4.9 mmm -61.76 -56.0 24.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 111.01 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . 0.946 HG21 ' HB2' ' A' ' 177' ' ' PHE . 44.4 p -45.37 -47.16 13.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.427 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' MET . . . . . 0.953 ' CE ' HD11 ' A' ' 93' ' ' ILE . 26.2 mtm -68.27 -25.17 65.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 111.011 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.955 ' C ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -62.21 -51.23 68.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 1.107 ' HB2' HG21 ' A' ' 173' ' ' THR . 0.0 OUTLIER -52.93 -54.69 31.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 1.051 ' HA ' HG22 ' A' ' 170' ' ' VAL . . . -60.52 -54.91 39.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.492 ' O ' ' CE ' ' A' ' 157' ' ' LYS . 0.0 OUTLIER -43.18 -52.21 5.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.342 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . 0.873 ' O ' ' N ' ' A' ' 162' ' ' HIS . 11.5 mmtp -75.51 -54.06 7.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . 1.023 HG13 ' HB3' ' A' ' 163' ' ' ALA . 49.0 t -52.27 -56.13 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.723 ' N ' ' O ' ' A' ' 156' ' ' ALA . . . -32.73 -37.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 159' ' ' VAL . 0.4 OUTLIER -119.8 -10.91 9.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.02 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . 0.873 ' N ' ' O ' ' A' ' 158' ' ' LYS . 16.2 t-80 -95.46 -50.87 4.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.606 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 1.023 ' HB3' HG13 ' A' ' 159' ' ' VAL . . . -126.27 66.01 59.78 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' PRO . . . . . 0.501 ' HD3' ' C ' ' A' ' 162' ' ' HIS . 18.3 Cg_endo -74.96 5.6 3.87 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.519 1.8 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.2 -0.64 55.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.018 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 17.5 mt -143.8 48.49 1.41 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.579 1.174 . . . . 0.0 109.284 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . 1.046 HD22 HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -51.35 -21.88 2.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . 0.608 ' CG ' ' N ' ' A' ' 169' ' ' ASP . 3.3 ptm180 -61.98 -48.67 79.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . 0.654 ' O ' ' OG1' ' A' ' 173' ' ' THR . 2.6 t70 -65.54 -34.48 78.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 170' ' ' VAL . . . . . 1.051 HG22 ' HA ' ' A' ' 156' ' ' ALA . 0.9 OUTLIER -48.9 -60.32 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . 1.084 ' CD2' ' HB2' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -57.16 -50.95 71.24 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 172' ' ' HIS . . . . . 0.603 ' O ' ' CB ' ' A' ' 176' ' ' ASN . 3.5 t-160 -49.25 -42.46 40.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.544 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . 1.107 HG21 ' HB2' ' A' ' 155' ' ' LEU . 1.7 m -52.97 -52.39 58.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.369 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 174' ' ' THR . . . . . 0.653 ' HA ' ' HB ' ' A' ' 152' ' ' THR . 16.8 p -57.88 -68.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.462 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 175' ' ' VAL . . . . . 1.034 HG13 HG22 ' A' ' 17' ' ' THR . 16.2 t -70.64 12.42 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.138 . . . . 0.0 109.339 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . 0.866 ' HB2' HD12 ' A' ' 127' ' ' LEU . 0.1 OUTLIER -77.11 -56.18 4.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . 0.949 ' HB3' HD23 ' A' ' 182' ' ' LEU . 7.0 m-30 -68.27 -47.18 68.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.959 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . 0.888 ' CG2' HG23 ' A' ' 17' ' ' THR . 4.0 mt -53.43 -58.2 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.365 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . 0.741 ' N ' HG21 ' A' ' 17' ' ' THR . 0.3 OUTLIER -58.82 -37.23 75.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 180' ' ' GLN . . . . . 0.556 ' HG2' ' CD2' ' A' ' 131' ' ' LEU . 12.1 tp60 -53.33 -104.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.611 ' C ' HD13 ' A' ' 182' ' ' LEU . 16.2 t-20 -123.73 -5.55 8.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . 0.949 HD23 ' HB3' ' A' ' 177' ' ' PHE . 0.0 OUTLIER -94.74 35.81 1.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 183' ' ' PHE . . . . . 0.543 ' O ' ' CG ' ' A' ' 183' ' ' PHE . 1.1 t80 -44.54 71.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 184' ' ' SER . . . . . 0.819 ' N ' ' O ' ' A' ' 182' ' ' LEU . 0.4 OUTLIER 56.06 138.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.978 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 185' ' ' TYR . . . . . 0.662 ' CE1' ' CB ' ' A' ' 187' ' ' ARG . 2.0 t80 -64.44 76.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 186' ' ' VAL . . . . . 0.414 ' N ' ' O ' ' A' ' 184' ' ' SER . 30.6 m -43.15 -40.3 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.662 ' CB ' ' CE1' ' A' ' 185' ' ' TYR . 0.3 OUTLIER -53.02 -46.12 68.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 188' ' ' ASN . . . . . 0.581 ' HB2' ' CD2' ' A' ' 185' ' ' TYR . 1.5 t30 -61.27 -48.4 81.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' A' ' 189' ' ' LEU . 0.2 OUTLIER -54.32 -47.38 72.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 55.5 t -54.66 -47.22 73.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.24 -48.38 80.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.261 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -55.06 -48.25 73.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.19 128.36 35.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.339 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 194' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.1 -46.91 4.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 36.1 p30 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.975 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.472 0.177 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 171.2 129.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 t -179.28 137.52 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.422 1.076 . . . . 0.0 110.001 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 67.6 tt0 -178.06 133.78 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.286 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.6 p -172.47 127.67 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.3 p -178.32 145.5 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.001 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.7 p30 170.57 149.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 143.98 142.93 3.99 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.41 -85.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 0.763 . . . . 0.0 109.972 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.13 69.01 1.11 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.503 1.127 . . . . 0.0 111.032 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -174.97 108.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 0.806 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.785 ' HA3' ' HB2' ' A' ' 46' ' ' ALA . . . -145.2 -169.35 13.49 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -131.07 81.63 2.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 0.758 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.03 38.81 0.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -56.14 -47.23 78.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.602 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.475 HG22 ' N ' ' A' ' 17' ' ' THR . 0.2 OUTLIER -60.41 -53.65 45.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 1.042 HG22 HG13 ' A' ' 175' ' ' VAL . 3.0 m -53.05 -43.95 67.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.421 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -48.76 -46.0 40.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 109.235 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.646 HD22 ' CE1' ' A' ' 84' ' ' HIS . 0.8 OUTLIER -66.34 -25.37 66.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.192 ' CD1' HD22 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -62.44 -50.28 72.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.915 ' H ' HG21 ' A' ' 175' ' ' VAL . 0.4 OUTLIER -55.27 -59.28 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.774 ' CE1' ' HB3' ' A' ' 35' ' ' LEU . 3.4 t80 -63.89 -27.5 69.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -72.9 -40.9 50.87 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 1.174 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 0.3 OUTLIER -52.2 -53.57 41.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.0 110.968 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.987 HD21 ' CG ' ' A' ' 34' ' ' GLU . 6.2 tp -59.29 -41.31 88.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.75 ' CA ' HD21 ' A' ' 35' ' ' LEU . 0.3 OUTLIER -56.48 -33.85 66.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 -179.93 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.507 ' OG ' ' O ' ' A' ' 24' ' ' PHE . 0.3 OUTLIER -60.86 -73.11 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.014 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.7 t -142.13 28.48 1.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.972 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.623 ' CA ' HD12 ' A' ' 25' ' ' LEU . . . -61.3 -146.91 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.532 ' HB3' ' CB ' ' A' ' 34' ' ' GLU . 7.5 t -86.4 -87.39 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.452 ' H ' ' HB2' ' A' ' 34' ' ' GLU . 5.7 t -146.99 172.26 13.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.418 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.86 -54.83 9.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -53.39 -27.71 25.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.255 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.987 ' CG ' HD21 ' A' ' 25' ' ' LEU . 9.7 tp10 -68.41 -56.19 9.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.954 ' HG ' ' HB3' ' A' ' 25' ' ' LEU . 9.7 mp -46.75 -38.46 10.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.22 -45.12 67.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.89 HG13 HD23 ' A' ' 167' ' ' LEU . 0.4 OUTLIER -62.67 -58.67 6.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.048 HD22 ' O ' ' A' ' 167' ' ' LEU . 19.7 mt -69.96 -44.57 69.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.641 ' N ' ' CD2' ' A' ' 171' ' ' PHE . . . -50.43 -51.16 33.05 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.45 1.094 . . . . 0.0 111.047 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -56.47 82.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.0 110.319 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -142.07 128.9 20.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -102.07 106.02 45.57 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.414 ' HD3' ' O ' ' A' ' 41' ' ' GLU . 18.4 Cg_endo -74.95 63.18 5.93 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.5 1.789 . . . . 0.0 110.983 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 43' ' ' PRO . 19.8 t -39.4 135.41 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 68.73 -176.56 0.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.785 ' HB2' ' HA3' ' A' ' 12' ' ' GLY . . . -165.4 111.38 0.92 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.343 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.458 ' C ' ' O ' ' A' ' 46' ' ' ALA . 9.2 t80 -33.46 -50.35 0.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.998 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 24.4 m95 63.05 145.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 107.974 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -148.91 -53.65 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.304 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 60.95 116.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -168.22 151.17 5.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 109.346 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 178.0 143.35 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -144.13 128.67 18.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.333 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.467 ' O ' ' CB ' ' A' ' 55' ' ' GLU . 3.8 p30 -153.88 179.59 8.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.467 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 0.5 OUTLIER 83.45 100.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.093 . . . . 0.0 110.29 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.934 HD13 ' O ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -168.68 140.77 2.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.263 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.721 ' N ' HD22 ' A' ' 56' ' ' LEU . 0.2 OUTLIER 178.93 138.47 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 110.262 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.2 t -153.64 141.03 19.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.443 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -166.56 169.01 14.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.348 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -148.35 -154.43 6.29 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.517 1.136 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 93.5 p -133.97 161.26 35.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 0.0 109.986 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.71 152.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.9 175.33 10.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 64.5 p -124.49 163.52 21.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.996 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.532 ' O ' ' CB ' ' A' ' 66' ' ' SER . 0.9 OUTLIER -99.4 144.85 28.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.288 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.532 ' CB ' ' O ' ' A' ' 65' ' ' ARG . 1.6 p 156.45 177.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.002 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -161.88 110.06 1.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 111.04 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -162.8 169.4 19.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -110.79 134.06 52.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -167.25 156.35 28.06 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.446 1.091 . . . . 0.0 110.988 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.433 ' O ' HG23 ' A' ' 72' ' ' ILE . 3.5 mtm180 -148.81 123.48 9.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 0.773 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.433 HG23 ' O ' ' A' ' 71' ' ' ARG . 1.1 pp -153.5 95.14 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -92.71 112.22 54.71 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.322 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 159.75 41.02 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.479 1.778 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 166.85 165.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.32 124.23 0.31 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.972 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -169.33 161.14 9.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.319 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 28.5 t -179.68 -88.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.96 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 71.64 -172.31 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 110.311 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 63.14 145.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.309 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.45 89.6 5.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.412 HG13 ' CB ' ' A' ' 85' ' ' ASN . 0.7 OUTLIER -97.57 -9.99 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.542 ' O ' HG22 ' A' ' 86' ' ' ILE . 2.6 mp -54.8 -50.58 59.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.646 ' CE1' HD22 ' A' ' 19' ' ' LEU . 95.4 m-70 -62.13 -30.53 71.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.578 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.412 ' CB ' HG13 ' A' ' 82' ' ' ILE . 1.5 t-20 -60.31 -50.79 72.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.603 HD13 ' CG2' ' A' ' 186' ' ' VAL . 1.1 tp -64.78 -29.91 48.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.791 ' HB1' ' HA ' ' A' ' 20' ' ' LEU . . . -54.6 -50.46 67.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.485 ' O ' ' CB ' ' A' ' 27' ' ' SER . 5.6 mtp180 -68.41 -41.88 79.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.548 ' CE1' HG12 ' A' ' 93' ' ' ILE . 60.5 t60 -60.35 -16.32 33.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.605 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 1.192 HD22 ' CD1' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -59.84 -65.37 0.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.266 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 1.174 ' HB2' ' CG ' ' A' ' 24' ' ' PHE . . . -56.67 -54.72 42.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.341 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -52.13 -27.77 15.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.548 HG12 ' CE1' ' A' ' 89' ' ' HIS . 1.0 OUTLIER -70.67 -38.03 71.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.269 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -59.62 -53.85 42.61 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.501 1.126 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -63.95 -51.38 64.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 0.759 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -57.56 -42.87 83.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.266 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.532 ' HB2' ' O ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -54.06 -44.84 71.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 110.97 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.55 -29.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.44 ' N ' ' C ' ' A' ' 97' ' ' MET . 1.6 t-80 -55.69 -52.17 64.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 109.622 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 97' ' ' MET . 13.5 p-10 -146.96 86.57 1.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.623 HG22 ' O ' ' A' ' 101' ' ' ILE . 0.2 OUTLIER -143.46 101.77 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.859 ' H ' ' HD3' ' A' ' 103' ' ' PRO . 6.8 mt-30 159.39 52.0 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.334 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.859 ' HD3' ' H ' ' A' ' 102' ' ' GLN . 18.2 Cg_endo -75.05 4.57 4.65 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.515 1.797 . . . . 0.0 111.026 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.703 ' O ' HD12 ' A' ' 105' ' ' LEU . 0.8 OUTLIER 177.38 -0.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.561 1.163 . . . . 0.0 110.365 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.703 HD12 ' O ' ' A' ' 104' ' ' THR . 3.0 mt 107.8 46.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 1.129 HG12 ' CE2' ' A' ' 138' ' ' PHE . 0.0 OUTLIER -52.26 -93.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.472 ' HG2' ' CG2' ' A' ' 101' ' ' ILE . 0.0 OUTLIER -46.47 -19.54 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.295 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.521 ' HB3' ' HB3' ' A' ' 105' ' ' LEU . 0.6 OUTLIER -69.39 -54.71 13.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 110.272 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 1.239 HD12 ' N ' ' A' ' 110' ' ' ALA . 1.3 pp -63.43 -59.88 4.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.447 1.092 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 1.239 ' N ' HD12 ' A' ' 109' ' ' LEU . . . -44.95 -48.34 11.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.447 ' CB ' ' O ' ' A' ' 107' ' ' ARG . . . -62.28 -20.13 63.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 1.049 ' CD ' ' O ' ' A' ' 109' ' ' LEU . 0.2 OUTLIER -54.89 -49.55 70.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.308 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 1.082 ' CD2' ' O ' ' A' ' 110' ' ' ALA . 2.4 p90 -63.88 -41.41 97.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.854 ' HG3' HD23 ' A' ' 155' ' ' LEU . 8.2 ttp -50.44 -27.06 5.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -122.15 109.06 14.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.351 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 117.03 -2.67 19.29 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.439 1.087 . . . . 0.0 111.005 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.573 ' O ' ' CB ' ' A' ' 118' ' ' LEU . 48.1 t -156.0 63.78 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 0.732 . . . . 0.0 110.009 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.573 ' CB ' ' O ' ' A' ' 117' ' ' SER . 0.6 OUTLIER 158.08 102.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.93 120.92 42.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.975 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.531 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 3.3 mt-10 44.92 26.57 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.336 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.531 ' CB ' ' O ' ' A' ' 120' ' ' GLU . 0.4 OUTLIER 88.29 92.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.315 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.439 ' HB2' ' CE ' ' A' ' 123' ' ' LYS . 13.5 m-20 -107.23 -60.85 1.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.457 ' HZ2' ' C ' ' A' ' 117' ' ' SER . 0.0 OUTLIER -138.94 176.77 8.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.754 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -114.37 3.56 15.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.525 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 3.3 t-20 -70.85 -31.82 68.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.492 ' O ' ' HB3' ' A' ' 129' ' ' LYS . 0.0 OUTLIER -44.38 -59.35 2.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 108.293 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.821 ' HA ' ' CZ ' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -51.39 -69.36 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -45.97 -29.09 1.31 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.525 ' HB2' ' O ' ' A' ' 125' ' ' ASN . 0.0 OUTLIER -59.66 -31.06 69.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 109.311 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.967 ' HB2' ' CD2' ' A' ' 113' ' ' PHE . . . -71.66 -47.43 54.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 1.015 HD12 ' SD ' ' A' ' 148' ' ' MET . 0.0 OUTLIER -39.97 -45.96 1.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.538 ' O ' ' HB ' ' A' ' 136' ' ' THR . 0.1 OUTLIER -70.67 -41.04 72.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.903 ' HB3' HD13 ' A' ' 109' ' ' LEU . 7.9 mm-40 -64.77 -61.35 2.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.316 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 1.056 HG23 ' CD2' ' A' ' 138' ' ' PHE . 0.2 OUTLIER -44.13 -44.82 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.736 ' O ' ' CG ' ' A' ' 139' ' ' PRO . 37.5 mtmt -72.25 -31.52 65.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.806 HG22 ' O ' ' A' ' 133' ' ' GLU . 0.7 OUTLIER -58.49 -20.13 43.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.364 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.845 ' HB3' ' CE1' ' A' ' 138' ' ' PHE . . . -114.76 -46.86 2.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 1.129 ' CE2' HG12 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -118.16 58.58 3.15 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.165 . . . . 0.0 110.974 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.736 ' CG ' ' O ' ' A' ' 135' ' ' LYS . 18.2 Cg_endo -75.0 149.17 36.3 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.489 1.784 . . . . 0.0 110.945 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.798 ' HB2' ' CG ' ' A' ' 144' ' ' ASN . 0.0 OUTLIER 162.82 -171.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.352 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.578 ' O ' ' N ' ' A' ' 145' ' ' ASP . 1.7 m-20 -84.77 -141.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . 0.45 ' O ' ' HB3' ' A' ' 146' ' ' LYS . 31.9 mmt -49.04 -33.94 12.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 111.021 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.38 -67.79 0.27 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . 0.858 ' HB3' ' O ' ' A' ' 138' ' ' PHE . 0.9 OUTLIER -76.43 -44.61 35.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.578 ' N ' ' O ' ' A' ' 141' ' ' ASP . 7.7 t70 -36.9 -50.53 0.87 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.45 ' HB3' ' O ' ' A' ' 142' ' ' MET . 0.5 OUTLIER -54.43 -32.08 56.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.739 ' N ' ' O ' ' A' ' 144' ' ' ASN . . . -57.03 -55.25 37.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.586 1.179 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . 1.015 ' SD ' HD12 ' A' ' 131' ' ' LEU . 0.0 OUTLIER -51.35 -42.84 61.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 111.055 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.882 ' N ' ' HG3' ' A' ' 148' ' ' MET . 2.1 tp -55.62 -43.94 76.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.644 HD12 ' HA ' ' A' ' 147' ' ' ALA . 52.8 mt -55.46 -32.35 29.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' MET . . . . . 0.807 ' HE3' ' O ' ' A' ' 106' ' ' VAL . 23.5 mmm -57.69 -52.81 63.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . 0.912 HG21 ' HB2' ' A' ' 177' ' ' PHE . 44.8 p -53.87 -47.98 70.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.39 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' MET . . . . . 0.519 ' HE2' HG22 ' A' ' 93' ' ' ILE . 2.7 mpp? -62.79 -27.54 69.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.952 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.977 ' C ' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -57.27 -57.27 13.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 1.049 HD21 ' CZ ' ' A' ' 113' ' ' PHE . 5.4 mp -48.31 -49.36 34.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 1.028 ' O ' ' O ' ' A' ' 159' ' ' VAL . . . -64.82 -46.29 82.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.346 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 7.5 tptp -48.67 -51.87 26.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.35 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . 0.818 ' O ' ' N ' ' A' ' 163' ' ' ALA . 0.0 OUTLIER -78.2 -51.52 10.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 109.295 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' VAL . . . . . 1.028 ' O ' ' O ' ' A' ' 156' ' ' ALA . 57.7 t -90.48 154.97 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.943 ' CB ' HG11 ' A' ' 170' ' ' VAL . . . 70.92 -47.75 0.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . 0.469 ' H ' ' C ' ' A' ' 159' ' ' VAL . 0.2 OUTLIER -96.2 -9.51 30.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.951 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . 0.646 ' CB ' ' O ' ' A' ' 158' ' ' LYS . 0.1 OUTLIER -151.53 -35.64 0.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.573 1.17 . . . . 0.0 109.606 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 0.982 ' HB3' ' HA ' ' A' ' 159' ' ' VAL . . . -113.45 98.2 45.9 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 53.92 3.48 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.499 1.789 . . . . 0.0 111.007 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . 0.574 ' C ' HD13 ' A' ' 166' ' ' LEU . 3.9 m -111.13 -65.3 1.18 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.004 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.631 ' O ' ' N ' ' A' ' 170' ' ' VAL . 0.2 OUTLIER -105.89 53.14 0.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.336 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . 1.048 ' O ' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -52.32 -59.07 4.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . 0.993 ' N ' HD22 ' A' ' 167' ' ' LEU . 0.7 OUTLIER -58.16 -48.78 79.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.318 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . 0.615 ' N ' ' CG ' ' A' ' 168' ' ' ARG . 0.2 OUTLIER -62.33 -36.56 82.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 170' ' ' VAL . . . . . 0.943 HG11 ' CB ' ' A' ' 160' ' ' ALA . 1.0 OUTLIER -50.37 -57.78 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . 0.952 ' CE1' HD22 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -50.12 -53.65 25.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 172' ' ' HIS . . . . . 0.632 ' O ' ' CB ' ' A' ' 176' ' ' ASN . 22.2 t-160 -54.35 -29.18 47.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.569 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . 0.866 ' O ' ' HB ' ' A' ' 152' ' ' THR . 2.1 m -56.6 -57.24 13.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.396 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 174' ' ' THR . . . . . 0.557 ' HA ' ' CB ' ' A' ' 152' ' ' THR . 32.7 p -53.79 -64.77 0.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.402 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 175' ' ' VAL . . . . . 1.042 HG13 HG22 ' A' ' 17' ' ' THR . 33.3 t -72.42 9.26 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . 0.795 ' HB3' ' O ' ' A' ' 173' ' ' THR . 0.0 OUTLIER -77.44 -55.62 5.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . 0.912 ' HB2' HG21 ' A' ' 152' ' ' THR . 3.6 m-30 -62.09 -51.77 66.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 178' ' ' ILE . . . . . 0.919 HD11 HD21 ' A' ' 90' ' ' LEU . 2.4 mt -55.2 -45.26 77.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -58.63 -39.98 82.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 180' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -94.7 1.38 55.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.275 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.789 ' ND2' HD22 ' A' ' 182' ' ' LEU . 57.5 t30 -97.62 -143.49 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . 0.845 HD13 ' N ' ' A' ' 182' ' ' LEU . 0.0 OUTLIER -95.29 41.96 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 183' ' ' PHE . . . . . 0.646 ' O ' ' CD2' ' A' ' 183' ' ' PHE . 5.3 t80 21.08 95.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 184' ' ' SER . . . . . 0.621 ' CB ' ' O ' ' A' ' 183' ' ' PHE . 2.0 m 95.57 70.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.974 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 185' ' ' TYR . . . . . 0.463 ' CD1' ' OD1' ' A' ' 145' ' ' ASP . 1.0 OUTLIER -54.98 -40.94 70.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.989 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 186' ' ' VAL . . . . . 0.603 ' CG2' HD13 ' A' ' 86' ' ' ILE . 8.2 p -59.57 -40.38 81.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.504 ' O ' ' CG2' ' A' ' 190' ' ' VAL . 0.0 OUTLIER -52.22 -44.93 65.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.312 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 188' ' ' ASN . . . . . 0.445 ' CB ' ' CE ' ' A' ' 142' ' ' MET . 26.8 m-20 -64.33 -42.01 96.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.402 ' N ' ' SD ' ' A' ' 142' ' ' MET . 8.5 tt -57.27 -54.15 50.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 187' ' ' ARG . 18.9 m -59.14 -45.94 92.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -47.69 69.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 110.313 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -62.34 -51.12 68.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.59 -170.76 0.89 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.345 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 194' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.64 44.18 2.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 31.1 t0 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 179.967 . . . . . . . . 0 0 . 1 stop_ save_